data_19331 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19331 _Entry.Title ; Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-06-28 _Entry.Accession_date 2013-06-28 _Entry.Last_release_date 2013-09-03 _Entry.Original_release_date 2013-09-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Surya VSRK' Pulavarti . . . 19331 2 Jeffrey Mills . L. . 19331 3 Dongyan Wang . . . 19331 4 Eitan Kohan . . . 19331 5 Keith Hamilton . . . 19331 6 Rong Xiao . . . 19331 7 John Everett . K. . 19331 8 Thomas Acton . B. . 19331 9 Gaetano Montelione . . . 19331 10 Thomas Szyperski . . . 19331 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 19331 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 19331 'Protein NMR' . 19331 'Protein Structure Initiative' . 19331 PSI-Biology . 19331 'Structural Genomics' . 19331 'Target HR7992A' . 19331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 19331 '15N chemical shifts' 76 19331 '1H chemical shifts' 425 19331 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-09-03 2013-06-28 original author . 19331 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MA7 'BMRB Entry Tracking System' 19331 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19331 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution NMR Structure of Zinc finger protein Eos from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR7992A' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Surya VSRK' Pulavarti . . . 19331 1 2 Jeffrey Mills . L. . 19331 1 3 Dongyan Wang . . . 19331 1 4 Eitan Kohan . . . 19331 1 5 Keith Hamilton . . . 19331 1 6 Rong Xiao . . . 19331 1 7 John Everett . K. . 19331 1 8 Thomas Acton . B. . 19331 1 9 Gaetano Montelione . . . 19331 1 10 Thomas Szyperski . . . 19331 1 11 NESG NESG . . . 19331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19331 _Assembly.ID 1 _Assembly.Name HR7992A _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HR7992A 1 $HR7992A A . yes native no no . . . 19331 1 2 'ZINC ION' 2 $entity_ZN B . no nonpolymer no no . . . 19331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HR7992A _Entity.Sf_category entity _Entity.Sf_framecode HR7992A _Entity.Entry_ID 19331 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HR7992A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHSHMPNGKLKCDV CGMVCIGPNVLMVHKRSHTG ERPFHCNQCGASFTQKGNLL RHIKLHSGEKPFKX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8322.126 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MA7 . "Solution Nmr Structure Of Zinc Finger Protein Eos From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) Target Hr7" . . . . . 98.65 73 100.00 100.00 5.61e-44 . . . . 19331 1 2 no DBJ BAC33191 . "unnamed protein product [Mus musculus]" . . . . . 85.14 526 98.41 100.00 1.21e-35 . . . . 19331 1 3 no DBJ BAG37131 . "unnamed protein product [Homo sapiens]" . . . . . 85.14 483 98.41 100.00 6.30e-35 . . . . 19331 1 4 no DBJ BAG63014 . "unnamed protein product [Homo sapiens]" . . . . . 85.14 532 98.41 100.00 1.98e-35 . . . . 19331 1 5 no DBJ BAI46179 . "Zinc finger protein Helios [synthetic construct]" . . . . . 85.14 532 98.41 100.00 1.98e-35 . . . . 19331 1 6 no EMBL CAC59948 . "lymphoid transcription factor [Gallus gallus]" . . . . . 85.14 563 98.41 100.00 7.75e-36 . . . . 19331 1 7 no EMBL CAH92275 . "hypothetical protein [Pongo abelii]" . . . . . 85.14 526 98.41 100.00 1.75e-35 . . . . 19331 1 8 no GB AAC00513 . "multi-zinc finger protein helios [Mus musculus]" . . . . . 85.14 526 98.41 100.00 1.22e-35 . . . . 19331 1 9 no GB AAF09441 . "zinc finger DNA binding protein Helios [Homo sapiens]" . . . . . 85.14 526 98.41 100.00 1.65e-35 . . . . 19331 1 10 no GB AAG39221 . "zinc finger transcription factor Eos [Homo sapiens]" . . . . . 85.14 483 98.41 100.00 5.88e-35 . . . . 19331 1 11 no GB AAH73084 . "LOC443625 protein, partial [Xenopus laevis]" . . . . . 85.14 514 98.41 100.00 3.78e-36 . . . . 19331 1 12 no GB AAI38607 . "IKAROS family zinc finger 2 [Mus musculus]" . . . . . 85.14 526 98.41 100.00 1.21e-35 . . . . 19331 1 13 no REF NP_001100386 . "zinc finger protein Helios [Rattus norvegicus]" . . . . . 85.14 313 98.41 100.00 7.50e-36 . . . . 19331 1 14 no REF NP_001116930 . "zinc finger protein Helios [Xenopus (Silurana) tropicalis]" . . . . . 85.14 523 98.41 100.00 1.34e-35 . . . . 19331 1 15 no REF NP_001126330 . "zinc finger protein Helios [Pongo abelii]" . . . . . 85.14 526 98.41 100.00 1.75e-35 . . . . 19331 1 16 no REF NP_001295240 . "IKAROS family zinc finger 2 (Helios) [Equus caballus]" . . . . . 85.14 526 98.41 100.00 1.77e-35 . . . . 19331 1 17 no REF NP_035900 . "zinc finger protein Helios [Mus musculus]" . . . . . 85.14 526 98.41 100.00 1.21e-35 . . . . 19331 1 18 no SP P81183 . "RecName: Full=Zinc finger protein Helios; AltName: Full=Ikaros family zinc finger protein 2" . . . . . 85.14 526 98.41 100.00 1.21e-35 . . . . 19331 1 19 no SP Q9UKS7 . "RecName: Full=Zinc finger protein Helios; AltName: Full=Ikaros family zinc finger protein 2" . . . . . 85.14 526 98.41 100.00 1.62e-35 . . . . 19331 1 20 no TPG DAA32460 . "TPA: IKAROS family zinc finger 2 (Helios) isoform 1 [Bos taurus]" . . . . . 85.14 526 98.41 100.00 1.59e-35 . . . . 19331 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19331 1 2 . GLY . 19331 1 3 . HIS . 19331 1 4 . HIS . 19331 1 5 . HIS . 19331 1 6 . HIS . 19331 1 7 . HIS . 19331 1 8 . HIS . 19331 1 9 . SER . 19331 1 10 . HIS . 19331 1 11 . MET . 19331 1 12 . PRO . 19331 1 13 . ASN . 19331 1 14 . GLY . 19331 1 15 . LYS . 19331 1 16 . LEU . 19331 1 17 . LYS . 19331 1 18 . CYS . 19331 1 19 . ASP . 19331 1 20 . VAL . 19331 1 21 . CYS . 19331 1 22 . GLY . 19331 1 23 . MET . 19331 1 24 . VAL . 19331 1 25 . CYS . 19331 1 26 . ILE . 19331 1 27 . GLY . 19331 1 28 . PRO . 19331 1 29 . ASN . 19331 1 30 . VAL . 19331 1 31 . LEU . 19331 1 32 . MET . 19331 1 33 . VAL . 19331 1 34 . HIS . 19331 1 35 . LYS . 19331 1 36 . ARG . 19331 1 37 . SER . 19331 1 38 . HIS . 19331 1 39 . THR . 19331 1 40 . GLY . 19331 1 41 . GLU . 19331 1 42 . ARG . 19331 1 43 . PRO . 19331 1 44 . PHE . 19331 1 45 . HIS . 19331 1 46 . CYS . 19331 1 47 . ASN . 19331 1 48 . GLN . 19331 1 49 . CYS . 19331 1 50 . GLY . 19331 1 51 . ALA . 19331 1 52 . SER . 19331 1 53 . PHE . 19331 1 54 . THR . 19331 1 55 . GLN . 19331 1 56 . LYS . 19331 1 57 . GLY . 19331 1 58 . ASN . 19331 1 59 . LEU . 19331 1 60 . LEU . 19331 1 61 . ARG . 19331 1 62 . HIS . 19331 1 63 . ILE . 19331 1 64 . LYS . 19331 1 65 . LEU . 19331 1 66 . HIS . 19331 1 67 . SER . 19331 1 68 . GLY . 19331 1 69 . GLU . 19331 1 70 . LYS . 19331 1 71 . PRO . 19331 1 72 . PHE . 19331 1 73 . LYS . 19331 1 74 . X . 19331 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19331 1 . GLY 2 2 19331 1 . HIS 3 3 19331 1 . HIS 4 4 19331 1 . HIS 5 5 19331 1 . HIS 6 6 19331 1 . HIS 7 7 19331 1 . HIS 8 8 19331 1 . SER 9 9 19331 1 . HIS 10 10 19331 1 . MET 11 11 19331 1 . PRO 12 12 19331 1 . ASN 13 13 19331 1 . GLY 14 14 19331 1 . LYS 15 15 19331 1 . LEU 16 16 19331 1 . LYS 17 17 19331 1 . CYS 18 18 19331 1 . ASP 19 19 19331 1 . VAL 20 20 19331 1 . CYS 21 21 19331 1 . GLY 22 22 19331 1 . MET 23 23 19331 1 . VAL 24 24 19331 1 . CYS 25 25 19331 1 . ILE 26 26 19331 1 . GLY 27 27 19331 1 . PRO 28 28 19331 1 . ASN 29 29 19331 1 . VAL 30 30 19331 1 . LEU 31 31 19331 1 . MET 32 32 19331 1 . VAL 33 33 19331 1 . HIS 34 34 19331 1 . LYS 35 35 19331 1 . ARG 36 36 19331 1 . SER 37 37 19331 1 . HIS 38 38 19331 1 . THR 39 39 19331 1 . GLY 40 40 19331 1 . GLU 41 41 19331 1 . ARG 42 42 19331 1 . PRO 43 43 19331 1 . PHE 44 44 19331 1 . HIS 45 45 19331 1 . CYS 46 46 19331 1 . ASN 47 47 19331 1 . GLN 48 48 19331 1 . CYS 49 49 19331 1 . GLY 50 50 19331 1 . ALA 51 51 19331 1 . SER 52 52 19331 1 . PHE 53 53 19331 1 . THR 54 54 19331 1 . GLN 55 55 19331 1 . LYS 56 56 19331 1 . GLY 57 57 19331 1 . ASN 58 58 19331 1 . LEU 59 59 19331 1 . LEU 60 60 19331 1 . ARG 61 61 19331 1 . HIS 62 62 19331 1 . ILE 63 63 19331 1 . LYS 64 64 19331 1 . LEU 65 65 19331 1 . HIS 66 66 19331 1 . SER 67 67 19331 1 . GLY 68 68 19331 1 . GLU 69 69 19331 1 . LYS 70 70 19331 1 . PRO 71 71 19331 1 . PHE 72 72 19331 1 . LYS 73 73 19331 1 . X 74 74 19331 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19331 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19331 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19331 2 ZN 'Three letter code' 19331 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19331 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19331 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19331 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HR7992A . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . IKZF4 . . . . 19331 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19331 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HR7992A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15_NESG . . . . . . 19331 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 19331 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 19331 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19331 ZN [Zn++] SMILES CACTVS 3.341 19331 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19331 ZN [Zn+2] SMILES ACDLabs 10.04 19331 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19331 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19331 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 19331 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19331 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19331 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19331 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM HR7992A.010, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR7992A.010 '[U-100% 13C; U-100% 15N]' . . 1 $HR7992A . . 1.0 . . mM . . . . 19331 1 2 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19331 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19331 1 4 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 19331 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 19331 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19331 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19331 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19331 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details HR7992A.011 _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HR7992A.011 '[5% 13C; U-100% 15N]' . . 1 $HR7992A . . 1 . . mM . . . . 19331 2 2 'Tris-HCl pH 7.5' 'natural abundance' . . . . . . 10 . . mM . . . . 19331 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19331 2 4 NaN3 'natural abundance' . . . . . . 0.02 . . mM . . . . 19331 2 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19331 2 6 'ZINC ION' 'natural abundance' . . . . . . 4 . . mM . . . . 19331 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19331 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19331 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19331 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 19331 1 pressure 1 . atm 19331 1 temperature 298 . K 19331 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19331 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19331 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 19331 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19331 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19331 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 19331 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 19331 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 19331 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 19331 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 19331 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 19331 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 19331 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 19331 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19331 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 19331 5 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19331 _Software.ID 6 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19331 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19331 6 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 19331 _Software.ID 7 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 19331 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19331 7 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 19331 _Software.ID 8 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 19331 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19331 8 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19331 _Software.ID 9 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya, Montelione' . . 19331 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 19331 9 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19331 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 loop_ _NMR_spectrometer_citation.Citation_ID _NMR_spectrometer_citation.Citation_label _NMR_spectrometer_citation.Entry_ID _NMR_spectrometer_citation.NMR_spectrometer_ID 1 $citations 19331 1 stop_ save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19331 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . 1 $citations 19331 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19331 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 8 '2D 1H-13C(CT) Aliphatic (28 ms)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 9 '2D 1H-13C(CT) Aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 11 'gft43d_hcch_cosy aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 12 'gft43d_hcch_cosy aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 14 '2D 1H-15N HSQC (His longrange)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 15 '2D 1H-13C(CT)HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19331 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19331 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19331 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19331 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19331 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19331 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCO' . . . 19331 1 7 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 19331 1 8 '2D 1H-13C(CT) Aliphatic (28 ms)' . . . 19331 1 14 '2D 1H-15N HSQC (His longrange)' . . . 19331 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 12 12 PRO HA H 1 4.260 0.030 . 1 . . . A 12 PRO HA . 19331 1 2 . 1 1 12 12 PRO HB2 H 1 2.289 0.030 . 1 . . . A 12 PRO HB2 . 19331 1 3 . 1 1 12 12 PRO HB3 H 1 2.289 0.030 . 1 . . . A 12 PRO HB3 . 19331 1 4 . 1 1 12 12 PRO C C 13 175.377 0.400 . 1 . . . A 12 PRO C . 19331 1 5 . 1 1 12 12 PRO CA C 13 63.385 0.400 . 1 . . . A 12 PRO CA . 19331 1 6 . 1 1 12 12 PRO CB C 13 32.069 0.400 . 1 . . . A 12 PRO CB . 19331 1 7 . 1 1 13 13 ASN H H 1 8.001 0.030 . 1 . . . A 13 ASN H . 19331 1 8 . 1 1 13 13 ASN HA H 1 4.464 0.030 . 1 . . . A 13 ASN HA . 19331 1 9 . 1 1 13 13 ASN HB2 H 1 2.727 0.030 . 1 . . . A 13 ASN HB2 . 19331 1 10 . 1 1 13 13 ASN HB3 H 1 2.727 0.030 . 1 . . . A 13 ASN HB3 . 19331 1 11 . 1 1 13 13 ASN HD21 H 1 6.930 0.030 . 2 . . . A 13 ASN HD21 . 19331 1 12 . 1 1 13 13 ASN HD22 H 1 7.601 0.030 . 2 . . . A 13 ASN HD22 . 19331 1 13 . 1 1 13 13 ASN C C 13 176.178 0.400 . 1 . . . A 13 ASN C . 19331 1 14 . 1 1 13 13 ASN CA C 13 54.834 0.400 . 1 . . . A 13 ASN CA . 19331 1 15 . 1 1 13 13 ASN CB C 13 41.005 0.400 . 1 . . . A 13 ASN CB . 19331 1 16 . 1 1 13 13 ASN N N 15 123.885 0.400 . 1 . . . A 13 ASN N . 19331 1 17 . 1 1 13 13 ASN ND2 N 15 112.671 0.400 . 1 . . . A 13 ASN ND2 . 19331 1 18 . 1 1 14 14 GLY H H 1 8.367 0.030 . 1 . . . A 14 GLY H . 19331 1 19 . 1 1 14 14 GLY HA2 H 1 3.906 0.030 . 1 . . . A 14 GLY HA2 . 19331 1 20 . 1 1 14 14 GLY HA3 H 1 3.906 0.030 . 1 . . . A 14 GLY HA3 . 19331 1 21 . 1 1 14 14 GLY C C 13 174.152 0.400 . 1 . . . A 14 GLY C . 19331 1 22 . 1 1 14 14 GLY CA C 13 45.365 0.400 . 1 . . . A 14 GLY CA . 19331 1 23 . 1 1 14 14 GLY N N 15 113.831 0.400 . 1 . . . A 14 GLY N . 19331 1 24 . 1 1 15 15 LYS H H 1 8.200 0.030 . 1 . . . A 15 LYS H . 19331 1 25 . 1 1 15 15 LYS HA H 1 4.297 0.030 . 1 . . . A 15 LYS HA . 19331 1 26 . 1 1 15 15 LYS HB2 H 1 2.067 0.030 . 2 . . . A 15 LYS HB2 . 19331 1 27 . 1 1 15 15 LYS HB3 H 1 1.790 0.030 . 2 . . . A 15 LYS HB3 . 19331 1 28 . 1 1 15 15 LYS HG2 H 1 1.453 0.030 . 2 . . . A 15 LYS HG2 . 19331 1 29 . 1 1 15 15 LYS HG3 H 1 1.615 0.030 . 2 . . . A 15 LYS HG3 . 19331 1 30 . 1 1 15 15 LYS HD2 H 1 1.670 0.030 . 1 . . . A 15 LYS HD2 . 19331 1 31 . 1 1 15 15 LYS HD3 H 1 1.670 0.030 . 1 . . . A 15 LYS HD3 . 19331 1 32 . 1 1 15 15 LYS HE2 H 1 2.975 0.030 . 1 . . . A 15 LYS HE2 . 19331 1 33 . 1 1 15 15 LYS HE3 H 1 2.975 0.030 . 1 . . . A 15 LYS HE3 . 19331 1 34 . 1 1 15 15 LYS C C 13 176.217 0.400 . 1 . . . A 15 LYS C . 19331 1 35 . 1 1 15 15 LYS CA C 13 56.921 0.400 . 1 . . . A 15 LYS CA . 19331 1 36 . 1 1 15 15 LYS CB C 13 32.804 0.400 . 1 . . . A 15 LYS CB . 19331 1 37 . 1 1 15 15 LYS CG C 13 24.824 0.400 . 1 . . . A 15 LYS CG . 19331 1 38 . 1 1 15 15 LYS CD C 13 28.737 0.400 . 1 . . . A 15 LYS CD . 19331 1 39 . 1 1 15 15 LYS CE C 13 41.936 0.400 . 1 . . . A 15 LYS CE . 19331 1 40 . 1 1 15 15 LYS N N 15 119.903 0.400 . 1 . . . A 15 LYS N . 19331 1 41 . 1 1 16 16 LEU H H 1 8.394 0.030 . 1 . . . A 16 LEU H . 19331 1 42 . 1 1 16 16 LEU HA H 1 4.454 0.030 . 1 . . . A 16 LEU HA . 19331 1 43 . 1 1 16 16 LEU HB2 H 1 1.623 0.030 . 1 . . . A 16 LEU HB2 . 19331 1 44 . 1 1 16 16 LEU HB3 H 1 1.623 0.030 . 1 . . . A 16 LEU HB3 . 19331 1 45 . 1 1 16 16 LEU HG H 1 1.566 0.030 . 1 . . . A 16 LEU HG . 19331 1 46 . 1 1 16 16 LEU HD11 H 1 0.742 0.030 . 1 . . . A 16 LEU HD11 . 19331 1 47 . 1 1 16 16 LEU HD12 H 1 0.742 0.030 . 1 . . . A 16 LEU HD12 . 19331 1 48 . 1 1 16 16 LEU HD13 H 1 0.742 0.030 . 1 . . . A 16 LEU HD13 . 19331 1 49 . 1 1 16 16 LEU HD21 H 1 0.839 0.030 . 1 . . . A 16 LEU HD21 . 19331 1 50 . 1 1 16 16 LEU HD22 H 1 0.839 0.030 . 1 . . . A 16 LEU HD22 . 19331 1 51 . 1 1 16 16 LEU HD23 H 1 0.839 0.030 . 1 . . . A 16 LEU HD23 . 19331 1 52 . 1 1 16 16 LEU C C 13 173.805 0.400 . 1 . . . A 16 LEU C . 19331 1 53 . 1 1 16 16 LEU CA C 13 55.080 0.400 . 1 . . . A 16 LEU CA . 19331 1 54 . 1 1 16 16 LEU CB C 13 41.852 0.400 . 1 . . . A 16 LEU CB . 19331 1 55 . 1 1 16 16 LEU CG C 13 26.828 0.400 . 1 . . . A 16 LEU CG . 19331 1 56 . 1 1 16 16 LEU CD1 C 13 25.365 0.400 . 1 . . . A 16 LEU CD1 . 19331 1 57 . 1 1 16 16 LEU CD2 C 13 23.420 0.400 . 1 . . . A 16 LEU CD2 . 19331 1 58 . 1 1 16 16 LEU N N 15 122.670 0.400 . 1 . . . A 16 LEU N . 19331 1 59 . 1 1 17 17 LYS H H 1 8.026 0.030 . 1 . . . A 17 LYS H . 19331 1 60 . 1 1 17 17 LYS HA H 1 4.877 0.030 . 1 . . . A 17 LYS HA . 19331 1 61 . 1 1 17 17 LYS HB2 H 1 1.509 0.030 . 2 . . . A 17 LYS HB2 . 19331 1 62 . 1 1 17 17 LYS HB3 H 1 1.562 0.030 . 2 . . . A 17 LYS HB3 . 19331 1 63 . 1 1 17 17 LYS HG2 H 1 1.198 0.030 . 1 . . . A 17 LYS HG2 . 19331 1 64 . 1 1 17 17 LYS HD2 H 1 1.590 0.030 . 1 . . . A 17 LYS HD2 . 19331 1 65 . 1 1 17 17 LYS HD3 H 1 1.590 0.030 . 1 . . . A 17 LYS HD3 . 19331 1 66 . 1 1 17 17 LYS HE2 H 1 3.079 0.030 . 1 . . . A 17 LYS HE2 . 19331 1 67 . 1 1 17 17 LYS HE3 H 1 3.079 0.030 . 1 . . . A 17 LYS HE3 . 19331 1 68 . 1 1 17 17 LYS C C 13 175.777 0.400 . 1 . . . A 17 LYS C . 19331 1 69 . 1 1 17 17 LYS CA C 13 54.489 0.400 . 1 . . . A 17 LYS CA . 19331 1 70 . 1 1 17 17 LYS CB C 13 35.154 0.400 . 1 . . . A 17 LYS CB . 19331 1 71 . 1 1 17 17 LYS CG C 13 24.353 0.400 . 1 . . . A 17 LYS CG . 19331 1 72 . 1 1 17 17 LYS CD C 13 29.340 0.400 . 1 . . . A 17 LYS CD . 19331 1 73 . 1 1 17 17 LYS CE C 13 41.850 0.400 . 1 . . . A 17 LYS CE . 19331 1 74 . 1 1 17 17 LYS N N 15 120.445 0.400 . 1 . . . A 17 LYS N . 19331 1 75 . 1 1 18 18 CYS H H 1 9.071 0.030 . 1 . . . A 18 CYS H . 19331 1 76 . 1 1 18 18 CYS HA H 1 4.227 0.030 . 1 . . . A 18 CYS HA . 19331 1 77 . 1 1 18 18 CYS HB2 H 1 2.719 0.030 . 2 . . . A 18 CYS HB2 . 19331 1 78 . 1 1 18 18 CYS HB3 H 1 3.255 0.030 . 2 . . . A 18 CYS HB3 . 19331 1 79 . 1 1 18 18 CYS C C 13 176.551 0.400 . 1 . . . A 18 CYS C . 19331 1 80 . 1 1 18 18 CYS CA C 13 60.677 0.400 . 1 . . . A 18 CYS CA . 19331 1 81 . 1 1 18 18 CYS CB C 13 29.821 0.400 . 1 . . . A 18 CYS CB . 19331 1 82 . 1 1 18 18 CYS N N 15 127.176 0.400 . 1 . . . A 18 CYS N . 19331 1 83 . 1 1 19 19 ASP H H 1 9.137 0.030 . 1 . . . A 19 ASP H . 19331 1 84 . 1 1 19 19 ASP HA H 1 4.364 0.030 . 1 . . . A 19 ASP HA . 19331 1 85 . 1 1 19 19 ASP HB2 H 1 2.803 0.030 . 1 . . . A 19 ASP HB2 . 19331 1 86 . 1 1 19 19 ASP HB3 H 1 2.803 0.030 . 1 . . . A 19 ASP HB3 . 19331 1 87 . 1 1 19 19 ASP C C 13 175.433 0.400 . 1 . . . A 19 ASP C . 19331 1 88 . 1 1 19 19 ASP CA C 13 55.671 0.400 . 1 . . . A 19 ASP CA . 19331 1 89 . 1 1 19 19 ASP CB C 13 39.613 0.400 . 1 . . . A 19 ASP CB . 19331 1 90 . 1 1 19 19 ASP N N 15 130.419 0.400 . 1 . . . A 19 ASP N . 19331 1 91 . 1 1 20 20 VAL H H 1 9.022 0.030 . 1 . . . A 20 VAL H . 19331 1 92 . 1 1 20 20 VAL HA H 1 3.822 0.030 . 1 . . . A 20 VAL HA . 19331 1 93 . 1 1 20 20 VAL HB H 1 1.338 0.030 . 1 . . . A 20 VAL HB . 19331 1 94 . 1 1 20 20 VAL HG11 H 1 0.207 0.030 . 1 . . . A 20 VAL HG11 . 19331 1 95 . 1 1 20 20 VAL HG12 H 1 0.207 0.030 . 1 . . . A 20 VAL HG12 . 19331 1 96 . 1 1 20 20 VAL HG13 H 1 0.207 0.030 . 1 . . . A 20 VAL HG13 . 19331 1 97 . 1 1 20 20 VAL HG21 H 1 0.796 0.030 . 1 . . . A 20 VAL HG21 . 19331 1 98 . 1 1 20 20 VAL HG22 H 1 0.796 0.030 . 1 . . . A 20 VAL HG22 . 19331 1 99 . 1 1 20 20 VAL HG23 H 1 0.796 0.030 . 1 . . . A 20 VAL HG23 . 19331 1 100 . 1 1 20 20 VAL C C 13 177.009 0.400 . 1 . . . A 20 VAL C . 19331 1 101 . 1 1 20 20 VAL CA C 13 65.362 0.400 . 1 . . . A 20 VAL CA . 19331 1 102 . 1 1 20 20 VAL CB C 13 32.970 0.400 . 1 . . . A 20 VAL CB . 19331 1 103 . 1 1 20 20 VAL CG1 C 13 19.687 0.400 . 1 . . . A 20 VAL CG1 . 19331 1 104 . 1 1 20 20 VAL CG2 C 13 21.125 0.400 . 1 . . . A 20 VAL CG2 . 19331 1 105 . 1 1 20 20 VAL N N 15 123.067 0.400 . 1 . . . A 20 VAL N . 19331 1 106 . 1 1 21 21 CYS H H 1 8.092 0.030 . 1 . . . A 21 CYS H . 19331 1 107 . 1 1 21 21 CYS HA H 1 5.115 0.030 . 1 . . . A 21 CYS HA . 19331 1 108 . 1 1 21 21 CYS HB2 H 1 3.452 0.030 . 2 . . . A 21 CYS HB2 . 19331 1 109 . 1 1 21 21 CYS HB3 H 1 2.657 0.030 . 2 . . . A 21 CYS HB3 . 19331 1 110 . 1 1 21 21 CYS C C 13 176.178 0.400 . 1 . . . A 21 CYS C . 19331 1 111 . 1 1 21 21 CYS CA C 13 58.067 0.400 . 1 . . . A 21 CYS CA . 19331 1 112 . 1 1 21 21 CYS CB C 13 33.096 0.400 . 1 . . . A 21 CYS CB . 19331 1 113 . 1 1 21 21 CYS N N 15 115.484 0.400 . 1 . . . A 21 CYS N . 19331 1 114 . 1 1 22 22 GLY H H 1 7.931 0.030 . 1 . . . A 22 GLY H . 19331 1 115 . 1 1 22 22 GLY HA2 H 1 4.254 0.030 . 2 . . . A 22 GLY HA2 . 19331 1 116 . 1 1 22 22 GLY HA3 H 1 3.740 0.030 . 2 . . . A 22 GLY HA3 . 19331 1 117 . 1 1 22 22 GLY C C 13 173.028 0.400 . 1 . . . A 22 GLY C . 19331 1 118 . 1 1 22 22 GLY CA C 13 45.741 0.400 . 1 . . . A 22 GLY CA . 19331 1 119 . 1 1 22 22 GLY N N 15 113.222 0.400 . 1 . . . A 22 GLY N . 19331 1 120 . 1 1 23 23 MET H H 1 8.276 0.030 . 1 . . . A 23 MET H . 19331 1 121 . 1 1 23 23 MET HA H 1 4.075 0.030 . 1 . . . A 23 MET HA . 19331 1 122 . 1 1 23 23 MET HB2 H 1 2.014 0.030 . 2 . . . A 23 MET HB2 . 19331 1 123 . 1 1 23 23 MET HB3 H 1 1.194 0.030 . 2 . . . A 23 MET HB3 . 19331 1 124 . 1 1 23 23 MET HG2 H 1 2.284 0.030 . 1 . . . A 23 MET HG2 . 19331 1 125 . 1 1 23 23 MET HG3 H 1 2.284 0.030 . 1 . . . A 23 MET HG3 . 19331 1 126 . 1 1 23 23 MET C C 13 174.950 0.400 . 1 . . . A 23 MET C . 19331 1 127 . 1 1 23 23 MET CA C 13 57.226 0.400 . 1 . . . A 23 MET CA . 19331 1 128 . 1 1 23 23 MET CB C 13 33.750 0.400 . 1 . . . A 23 MET CB . 19331 1 129 . 1 1 23 23 MET CG C 13 31.297 0.400 . 1 . . . A 23 MET CG . 19331 1 130 . 1 1 23 23 MET N N 15 122.930 0.400 . 1 . . . A 23 MET N . 19331 1 131 . 1 1 24 24 VAL H H 1 8.466 0.030 . 1 . . . A 24 VAL H . 19331 1 132 . 1 1 24 24 VAL HA H 1 4.330 0.030 . 1 . . . A 24 VAL HA . 19331 1 133 . 1 1 24 24 VAL HB H 1 1.922 0.030 . 1 . . . A 24 VAL HB . 19331 1 134 . 1 1 24 24 VAL HG11 H 1 0.823 0.030 . 1 . . . A 24 VAL HG11 . 19331 1 135 . 1 1 24 24 VAL HG12 H 1 0.823 0.030 . 1 . . . A 24 VAL HG12 . 19331 1 136 . 1 1 24 24 VAL HG13 H 1 0.823 0.030 . 1 . . . A 24 VAL HG13 . 19331 1 137 . 1 1 24 24 VAL HG21 H 1 0.968 0.030 . 1 . . . A 24 VAL HG21 . 19331 1 138 . 1 1 24 24 VAL HG22 H 1 0.968 0.030 . 1 . . . A 24 VAL HG22 . 19331 1 139 . 1 1 24 24 VAL HG23 H 1 0.968 0.030 . 1 . . . A 24 VAL HG23 . 19331 1 140 . 1 1 24 24 VAL C C 13 176.124 0.400 . 1 . . . A 24 VAL C . 19331 1 141 . 1 1 24 24 VAL CA C 13 62.581 0.400 . 1 . . . A 24 VAL CA . 19331 1 142 . 1 1 24 24 VAL CB C 13 31.843 0.400 . 1 . . . A 24 VAL CB . 19331 1 143 . 1 1 24 24 VAL CG1 C 13 21.429 0.400 . 1 . . . A 24 VAL CG1 . 19331 1 144 . 1 1 24 24 VAL CG2 C 13 21.708 0.400 . 1 . . . A 24 VAL CG2 . 19331 1 145 . 1 1 24 24 VAL N N 15 126.800 0.400 . 1 . . . A 24 VAL N . 19331 1 146 . 1 1 25 25 CYS H H 1 8.720 0.030 . 1 . . . A 25 CYS H . 19331 1 147 . 1 1 25 25 CYS HA H 1 4.729 0.030 . 1 . . . A 25 CYS HA . 19331 1 148 . 1 1 25 25 CYS HB2 H 1 2.716 0.030 . 2 . . . A 25 CYS HB2 . 19331 1 149 . 1 1 25 25 CYS HB3 H 1 2.587 0.030 . 2 . . . A 25 CYS HB3 . 19331 1 150 . 1 1 25 25 CYS HG H 1 2.245 0.030 . 1 . . . A 25 CYS HG . 19331 1 151 . 1 1 25 25 CYS C C 13 173.829 0.400 . 1 . . . A 25 CYS C . 19331 1 152 . 1 1 25 25 CYS CA C 13 57.510 0.400 . 1 . . . A 25 CYS CA . 19331 1 153 . 1 1 25 25 CYS CB C 13 31.649 0.400 . 1 . . . A 25 CYS CB . 19331 1 154 . 1 1 25 25 CYS N N 15 125.377 0.400 . 1 . . . A 25 CYS N . 19331 1 155 . 1 1 26 26 ILE H H 1 8.407 0.030 . 1 . . . A 26 ILE H . 19331 1 156 . 1 1 26 26 ILE HA H 1 4.170 0.030 . 1 . . . A 26 ILE HA . 19331 1 157 . 1 1 26 26 ILE HB H 1 1.939 0.030 . 1 . . . A 26 ILE HB . 19331 1 158 . 1 1 26 26 ILE HG12 H 1 1.224 0.030 . 2 . . . A 26 ILE HG12 . 19331 1 159 . 1 1 26 26 ILE HG13 H 1 1.467 0.030 . 2 . . . A 26 ILE HG13 . 19331 1 160 . 1 1 26 26 ILE HG21 H 1 0.930 0.030 . 1 . . . A 26 ILE HG21 . 19331 1 161 . 1 1 26 26 ILE HG22 H 1 0.930 0.030 . 1 . . . A 26 ILE HG22 . 19331 1 162 . 1 1 26 26 ILE HG23 H 1 0.930 0.030 . 1 . . . A 26 ILE HG23 . 19331 1 163 . 1 1 26 26 ILE HD11 H 1 0.857 0.030 . 1 . . . A 26 ILE HD11 . 19331 1 164 . 1 1 26 26 ILE HD12 H 1 0.857 0.030 . 1 . . . A 26 ILE HD12 . 19331 1 165 . 1 1 26 26 ILE HD13 H 1 0.857 0.030 . 1 . . . A 26 ILE HD13 . 19331 1 166 . 1 1 26 26 ILE C C 13 175.334 0.400 . 1 . . . A 26 ILE C . 19331 1 167 . 1 1 26 26 ILE CA C 13 61.946 0.400 . 1 . . . A 26 ILE CA . 19331 1 168 . 1 1 26 26 ILE CB C 13 37.870 0.400 . 1 . . . A 26 ILE CB . 19331 1 169 . 1 1 26 26 ILE CG1 C 13 27.368 0.400 . 1 . . . A 26 ILE CG1 . 19331 1 170 . 1 1 26 26 ILE CG2 C 13 17.713 0.400 . 1 . . . A 26 ILE CG2 . 19331 1 171 . 1 1 26 26 ILE CD1 C 13 13.070 0.400 . 1 . . . A 26 ILE CD1 . 19331 1 172 . 1 1 26 26 ILE N N 15 119.435 0.400 . 1 . . . A 26 ILE N . 19331 1 173 . 1 1 27 27 GLY H H 1 7.444 0.030 . 1 . . . A 27 GLY H . 19331 1 174 . 1 1 27 27 GLY HA2 H 1 4.166 0.030 . 2 . . . A 27 GLY HA2 . 19331 1 175 . 1 1 27 27 GLY HA3 H 1 4.405 0.030 . 2 . . . A 27 GLY HA3 . 19331 1 176 . 1 1 27 27 GLY CA C 13 44.598 0.400 . 1 . . . A 27 GLY CA . 19331 1 177 . 1 1 27 27 GLY N N 15 109.455 0.400 . 1 . . . A 27 GLY N . 19331 1 178 . 1 1 28 28 PRO HA H 1 4.180 0.030 . 1 . . . A 28 PRO HA . 19331 1 179 . 1 1 28 28 PRO HB2 H 1 2.324 0.030 . 2 . . . A 28 PRO HB2 . 19331 1 180 . 1 1 28 28 PRO HB3 H 1 2.049 0.030 . 2 . . . A 28 PRO HB3 . 19331 1 181 . 1 1 28 28 PRO HG2 H 1 2.104 0.030 . 1 . . . A 28 PRO HG2 . 19331 1 182 . 1 1 28 28 PRO HG3 H 1 2.104 0.030 . 1 . . . A 28 PRO HG3 . 19331 1 183 . 1 1 28 28 PRO HD2 H 1 3.868 0.030 . 2 . . . A 28 PRO HD2 . 19331 1 184 . 1 1 28 28 PRO HD3 H 1 3.682 0.030 . 2 . . . A 28 PRO HD3 . 19331 1 185 . 1 1 28 28 PRO C C 13 178.526 0.400 . 1 . . . A 28 PRO C . 19331 1 186 . 1 1 28 28 PRO CA C 13 65.014 0.400 . 1 . . . A 28 PRO CA . 19331 1 187 . 1 1 28 28 PRO CB C 13 31.748 0.400 . 1 . . . A 28 PRO CB . 19331 1 188 . 1 1 28 28 PRO CG C 13 27.333 0.400 . 1 . . . A 28 PRO CG . 19331 1 189 . 1 1 28 28 PRO CD C 13 50.199 0.400 . 1 . . . A 28 PRO CD . 19331 1 190 . 1 1 29 29 ASN H H 1 8.722 0.030 . 1 . . . A 29 ASN H . 19331 1 191 . 1 1 29 29 ASN HA H 1 4.574 0.030 . 1 . . . A 29 ASN HA . 19331 1 192 . 1 1 29 29 ASN HB2 H 1 2.921 0.030 . 2 . . . A 29 ASN HB2 . 19331 1 193 . 1 1 29 29 ASN HB3 H 1 2.878 0.030 . 2 . . . A 29 ASN HB3 . 19331 1 194 . 1 1 29 29 ASN HD21 H 1 7.193 0.030 . 2 . . . A 29 ASN HD21 . 19331 1 195 . 1 1 29 29 ASN HD22 H 1 8.091 0.030 . 2 . . . A 29 ASN HD22 . 19331 1 196 . 1 1 29 29 ASN C C 13 176.925 0.400 . 1 . . . A 29 ASN C . 19331 1 197 . 1 1 29 29 ASN CA C 13 56.454 0.400 . 1 . . . A 29 ASN CA . 19331 1 198 . 1 1 29 29 ASN CB C 13 37.481 0.400 . 1 . . . A 29 ASN CB . 19331 1 199 . 1 1 29 29 ASN N N 15 118.871 0.400 . 1 . . . A 29 ASN N . 19331 1 200 . 1 1 29 29 ASN ND2 N 15 113.894 0.400 . 1 . . . A 29 ASN ND2 . 19331 1 201 . 1 1 30 30 VAL H H 1 7.475 0.030 . 1 . . . A 30 VAL H . 19331 1 202 . 1 1 30 30 VAL HA H 1 3.717 0.030 . 1 . . . A 30 VAL HA . 19331 1 203 . 1 1 30 30 VAL HB H 1 1.975 0.030 . 1 . . . A 30 VAL HB . 19331 1 204 . 1 1 30 30 VAL HG11 H 1 1.062 0.030 . 1 . . . A 30 VAL HG11 . 19331 1 205 . 1 1 30 30 VAL HG12 H 1 1.062 0.030 . 1 . . . A 30 VAL HG12 . 19331 1 206 . 1 1 30 30 VAL HG13 H 1 1.062 0.030 . 1 . . . A 30 VAL HG13 . 19331 1 207 . 1 1 30 30 VAL HG21 H 1 1.079 0.030 . 1 . . . A 30 VAL HG21 . 19331 1 208 . 1 1 30 30 VAL HG22 H 1 1.079 0.030 . 1 . . . A 30 VAL HG22 . 19331 1 209 . 1 1 30 30 VAL HG23 H 1 1.079 0.030 . 1 . . . A 30 VAL HG23 . 19331 1 210 . 1 1 30 30 VAL C C 13 178.526 0.400 . 1 . . . A 30 VAL C . 19331 1 211 . 1 1 30 30 VAL CA C 13 65.881 0.400 . 1 . . . A 30 VAL CA . 19331 1 212 . 1 1 30 30 VAL CB C 13 31.840 0.400 . 1 . . . A 30 VAL CB . 19331 1 213 . 1 1 30 30 VAL CG1 C 13 21.231 0.400 . 1 . . . A 30 VAL CG1 . 19331 1 214 . 1 1 30 30 VAL CG2 C 13 22.559 0.400 . 1 . . . A 30 VAL CG2 . 19331 1 215 . 1 1 30 30 VAL N N 15 120.904 0.400 . 1 . . . A 30 VAL N . 19331 1 216 . 1 1 31 31 LEU H H 1 7.853 0.030 . 1 . . . A 31 LEU H . 19331 1 217 . 1 1 31 31 LEU HA H 1 4.467 0.030 . 1 . . . A 31 LEU HA . 19331 1 218 . 1 1 31 31 LEU HB2 H 1 1.996 0.030 . 2 . . . A 31 LEU HB2 . 19331 1 219 . 1 1 31 31 LEU HB3 H 1 1.290 0.030 . 2 . . . A 31 LEU HB3 . 19331 1 220 . 1 1 31 31 LEU HG H 1 1.633 0.030 . 1 . . . A 31 LEU HG . 19331 1 221 . 1 1 31 31 LEU HD11 H 1 0.826 0.030 . 1 . . . A 31 LEU HD11 . 19331 1 222 . 1 1 31 31 LEU HD12 H 1 0.826 0.030 . 1 . . . A 31 LEU HD12 . 19331 1 223 . 1 1 31 31 LEU HD13 H 1 0.826 0.030 . 1 . . . A 31 LEU HD13 . 19331 1 224 . 1 1 31 31 LEU HD21 H 1 0.748 0.030 . 1 . . . A 31 LEU HD21 . 19331 1 225 . 1 1 31 31 LEU HD22 H 1 0.748 0.030 . 1 . . . A 31 LEU HD22 . 19331 1 226 . 1 1 31 31 LEU HD23 H 1 0.748 0.030 . 1 . . . A 31 LEU HD23 . 19331 1 227 . 1 1 31 31 LEU C C 13 177.379 0.400 . 1 . . . A 31 LEU C . 19331 1 228 . 1 1 31 31 LEU CA C 13 58.102 0.400 . 1 . . . A 31 LEU CA . 19331 1 229 . 1 1 31 31 LEU CB C 13 41.367 0.400 . 1 . . . A 31 LEU CB . 19331 1 230 . 1 1 31 31 LEU CG C 13 26.375 0.400 . 1 . . . A 31 LEU CG . 19331 1 231 . 1 1 31 31 LEU CD1 C 13 25.197 0.400 . 1 . . . A 31 LEU CD1 . 19331 1 232 . 1 1 31 31 LEU CD2 C 13 22.968 0.400 . 1 . . . A 31 LEU CD2 . 19331 1 233 . 1 1 31 31 LEU N N 15 120.665 0.400 . 1 . . . A 31 LEU N . 19331 1 234 . 1 1 32 32 MET H H 1 7.974 0.030 . 1 . . . A 32 MET H . 19331 1 235 . 1 1 32 32 MET HA H 1 4.099 0.030 . 1 . . . A 32 MET HA . 19331 1 236 . 1 1 32 32 MET HB2 H 1 2.251 0.030 . 1 . . . A 32 MET HB2 . 19331 1 237 . 1 1 32 32 MET HB3 H 1 2.251 0.030 . 1 . . . A 32 MET HB3 . 19331 1 238 . 1 1 32 32 MET HG2 H 1 2.793 0.030 . 1 . . . A 32 MET HG2 . 19331 1 239 . 1 1 32 32 MET HG3 H 1 2.793 0.030 . 1 . . . A 32 MET HG3 . 19331 1 240 . 1 1 32 32 MET C C 13 178.927 0.400 . 1 . . . A 32 MET C . 19331 1 241 . 1 1 32 32 MET CA C 13 59.015 0.400 . 1 . . . A 32 MET CA . 19331 1 242 . 1 1 32 32 MET CB C 13 32.105 0.400 . 1 . . . A 32 MET CB . 19331 1 243 . 1 1 32 32 MET CG C 13 31.336 0.400 . 1 . . . A 32 MET CG . 19331 1 244 . 1 1 32 32 MET N N 15 117.671 0.400 . 1 . . . A 32 MET N . 19331 1 245 . 1 1 33 33 VAL H H 1 7.747 0.030 . 1 . . . A 33 VAL H . 19331 1 246 . 1 1 33 33 VAL HA H 1 3.542 0.030 . 1 . . . A 33 VAL HA . 19331 1 247 . 1 1 33 33 VAL HB H 1 2.127 0.030 . 1 . . . A 33 VAL HB . 19331 1 248 . 1 1 33 33 VAL HG11 H 1 0.959 0.030 . 1 . . . A 33 VAL HG11 . 19331 1 249 . 1 1 33 33 VAL HG12 H 1 0.959 0.030 . 1 . . . A 33 VAL HG12 . 19331 1 250 . 1 1 33 33 VAL HG13 H 1 0.959 0.030 . 1 . . . A 33 VAL HG13 . 19331 1 251 . 1 1 33 33 VAL HG21 H 1 1.086 0.030 . 1 . . . A 33 VAL HG21 . 19331 1 252 . 1 1 33 33 VAL HG22 H 1 1.086 0.030 . 1 . . . A 33 VAL HG22 . 19331 1 253 . 1 1 33 33 VAL HG23 H 1 1.086 0.030 . 1 . . . A 33 VAL HG23 . 19331 1 254 . 1 1 33 33 VAL C C 13 179.275 0.400 . 1 . . . A 33 VAL C . 19331 1 255 . 1 1 33 33 VAL CA C 13 66.653 0.400 . 1 . . . A 33 VAL CA . 19331 1 256 . 1 1 33 33 VAL CB C 13 31.815 0.400 . 1 . . . A 33 VAL CB . 19331 1 257 . 1 1 33 33 VAL CG1 C 13 21.232 0.400 . 1 . . . A 33 VAL CG1 . 19331 1 258 . 1 1 33 33 VAL CG2 C 13 22.569 0.400 . 1 . . . A 33 VAL CG2 . 19331 1 259 . 1 1 33 33 VAL N N 15 119.384 0.400 . 1 . . . A 33 VAL N . 19331 1 260 . 1 1 34 34 HIS H H 1 8.664 0.030 . 1 . . . A 34 HIS H . 19331 1 261 . 1 1 34 34 HIS HA H 1 4.220 0.030 . 1 . . . A 34 HIS HA . 19331 1 262 . 1 1 34 34 HIS HB2 H 1 3.580 0.030 . 2 . . . A 34 HIS HB2 . 19331 1 263 . 1 1 34 34 HIS HB3 H 1 3.280 0.030 . 2 . . . A 34 HIS HB3 . 19331 1 264 . 1 1 34 34 HIS HD2 H 1 6.595 0.030 . 1 . . . A 34 HIS HD2 . 19331 1 265 . 1 1 34 34 HIS HE1 H 1 8.022 0.030 . 1 . . . A 34 HIS HE1 . 19331 1 266 . 1 1 34 34 HIS C C 13 178.486 0.400 . 1 . . . A 34 HIS C . 19331 1 267 . 1 1 34 34 HIS CA C 13 59.798 0.400 . 1 . . . A 34 HIS CA . 19331 1 268 . 1 1 34 34 HIS CB C 13 28.036 0.400 . 1 . . . A 34 HIS CB . 19331 1 269 . 1 1 34 34 HIS CD2 C 13 126.629 0.400 . 1 . . . A 34 HIS CD2 . 19331 1 270 . 1 1 34 34 HIS CE1 C 13 140.208 0.400 . 1 . . . A 34 HIS CE1 . 19331 1 271 . 1 1 34 34 HIS N N 15 120.938 0.400 . 1 . . . A 34 HIS N . 19331 1 272 . 1 1 34 34 HIS ND1 N 15 170.425 0.400 . 1 . . . A 34 HIS ND1 . 19331 1 273 . 1 1 34 34 HIS NE2 N 15 210.412 0.400 . 1 . . . A 34 HIS NE2 . 19331 1 274 . 1 1 35 35 LYS H H 1 9.034 0.030 . 1 . . . A 35 LYS H . 19331 1 275 . 1 1 35 35 LYS HA H 1 3.716 0.030 . 1 . . . A 35 LYS HA . 19331 1 276 . 1 1 35 35 LYS HB2 H 1 2.002 0.030 . 1 . . . A 35 LYS HB2 . 19331 1 277 . 1 1 35 35 LYS HB3 H 1 2.002 0.030 . 1 . . . A 35 LYS HB3 . 19331 1 278 . 1 1 35 35 LYS HG2 H 1 2.037 0.030 . 1 . . . A 35 LYS HG2 . 19331 1 279 . 1 1 35 35 LYS HG3 H 1 2.037 0.030 . 1 . . . A 35 LYS HG3 . 19331 1 280 . 1 1 35 35 LYS HD2 H 1 1.866 0.030 . 1 . . . A 35 LYS HD2 . 19331 1 281 . 1 1 35 35 LYS HD3 H 1 1.866 0.030 . 1 . . . A 35 LYS HD3 . 19331 1 282 . 1 1 35 35 LYS HE2 H 1 3.096 0.030 . 2 . . . A 35 LYS HE2 . 19331 1 283 . 1 1 35 35 LYS HE3 H 1 3.225 0.030 . 2 . . . A 35 LYS HE3 . 19331 1 284 . 1 1 35 35 LYS C C 13 178.526 0.400 . 1 . . . A 35 LYS C . 19331 1 285 . 1 1 35 35 LYS CA C 13 60.666 0.400 . 1 . . . A 35 LYS CA . 19331 1 286 . 1 1 35 35 LYS CB C 13 31.428 0.400 . 1 . . . A 35 LYS CB . 19331 1 287 . 1 1 35 35 LYS CG C 13 26.849 0.400 . 1 . . . A 35 LYS CG . 19331 1 288 . 1 1 35 35 LYS CD C 13 29.326 0.400 . 1 . . . A 35 LYS CD . 19331 1 289 . 1 1 35 35 LYS CE C 13 41.535 0.400 . 1 . . . A 35 LYS CE . 19331 1 290 . 1 1 35 35 LYS N N 15 119.725 0.400 . 1 . . . A 35 LYS N . 19331 1 291 . 1 1 36 36 ARG H H 1 7.458 0.030 . 1 . . . A 36 ARG H . 19331 1 292 . 1 1 36 36 ARG HA H 1 4.149 0.030 . 1 . . . A 36 ARG HA . 19331 1 293 . 1 1 36 36 ARG HB2 H 1 1.921 0.030 . 1 . . . A 36 ARG HB2 . 19331 1 294 . 1 1 36 36 ARG HB3 H 1 1.921 0.030 . 1 . . . A 36 ARG HB3 . 19331 1 295 . 1 1 36 36 ARG HG2 H 1 1.712 0.030 . 2 . . . A 36 ARG HG2 . 19331 1 296 . 1 1 36 36 ARG HG3 H 1 1.945 0.030 . 2 . . . A 36 ARG HG3 . 19331 1 297 . 1 1 36 36 ARG HD2 H 1 3.208 0.030 . 1 . . . A 36 ARG HD2 . 19331 1 298 . 1 1 36 36 ARG HD3 H 1 3.208 0.030 . 1 . . . A 36 ARG HD3 . 19331 1 299 . 1 1 36 36 ARG HE H 1 7.237 0.030 . 1 . . . A 36 ARG HE . 19331 1 300 . 1 1 36 36 ARG C C 13 177.752 0.400 . 1 . . . A 36 ARG C . 19331 1 301 . 1 1 36 36 ARG CA C 13 58.107 0.400 . 1 . . . A 36 ARG CA . 19331 1 302 . 1 1 36 36 ARG CB C 13 29.714 0.400 . 1 . . . A 36 ARG CB . 19331 1 303 . 1 1 36 36 ARG CG C 13 27.441 0.400 . 1 . . . A 36 ARG CG . 19331 1 304 . 1 1 36 36 ARG CD C 13 43.629 0.400 . 1 . . . A 36 ARG CD . 19331 1 305 . 1 1 36 36 ARG N N 15 118.491 0.400 . 1 . . . A 36 ARG N . 19331 1 306 . 1 1 36 36 ARG NE N 15 84.773 0.400 . 1 . . . A 36 ARG NE . 19331 1 307 . 1 1 37 37 SER H H 1 7.771 0.030 . 1 . . . A 37 SER H . 19331 1 308 . 1 1 37 37 SER HA H 1 4.202 0.030 . 1 . . . A 37 SER HA . 19331 1 309 . 1 1 37 37 SER HB2 H 1 3.738 0.030 . 1 . . . A 37 SER HB2 . 19331 1 310 . 1 1 37 37 SER HB3 H 1 3.738 0.030 . 1 . . . A 37 SER HB3 . 19331 1 311 . 1 1 37 37 SER C C 13 174.576 0.400 . 1 . . . A 37 SER C . 19331 1 312 . 1 1 37 37 SER CA C 13 60.412 0.400 . 1 . . . A 37 SER CA . 19331 1 313 . 1 1 37 37 SER CB C 13 62.129 0.400 . 1 . . . A 37 SER CB . 19331 1 314 . 1 1 37 37 SER N N 15 113.811 0.400 . 1 . . . A 37 SER N . 19331 1 315 . 1 1 38 38 HIS H H 1 7.265 0.030 . 1 . . . A 38 HIS H . 19331 1 316 . 1 1 38 38 HIS HA H 1 4.994 0.030 . 1 . . . A 38 HIS HA . 19331 1 317 . 1 1 38 38 HIS HB2 H 1 3.232 0.030 . 1 . . . A 38 HIS HB2 . 19331 1 318 . 1 1 38 38 HIS HB3 H 1 3.232 0.030 . 1 . . . A 38 HIS HB3 . 19331 1 319 . 1 1 38 38 HIS HD2 H 1 6.895 0.030 . 1 . . . A 38 HIS HD2 . 19331 1 320 . 1 1 38 38 HIS HE1 H 1 7.801 0.030 . 1 . . . A 38 HIS HE1 . 19331 1 321 . 1 1 38 38 HIS C C 13 174.977 0.400 . 1 . . . A 38 HIS C . 19331 1 322 . 1 1 38 38 HIS CA C 13 54.798 0.400 . 1 . . . A 38 HIS CA . 19331 1 323 . 1 1 38 38 HIS CB C 13 28.317 0.400 . 1 . . . A 38 HIS CB . 19331 1 324 . 1 1 38 38 HIS CD2 C 13 126.093 0.400 . 1 . . . A 38 HIS CD2 . 19331 1 325 . 1 1 38 38 HIS CE1 C 13 139.246 0.400 . 1 . . . A 38 HIS CE1 . 19331 1 326 . 1 1 38 38 HIS N N 15 118.829 0.400 . 1 . . . A 38 HIS N . 19331 1 327 . 1 1 38 38 HIS NE2 N 15 213.967 0.400 . 1 . . . A 38 HIS NE2 . 19331 1 328 . 1 1 39 39 THR H H 1 7.814 0.030 . 1 . . . A 39 THR H . 19331 1 329 . 1 1 39 39 THR HA H 1 4.353 0.030 . 1 . . . A 39 THR HA . 19331 1 330 . 1 1 39 39 THR HB H 1 4.295 0.030 . 1 . . . A 39 THR HB . 19331 1 331 . 1 1 39 39 THR HG21 H 1 1.240 0.030 . 1 . . . A 39 THR HG21 . 19331 1 332 . 1 1 39 39 THR HG22 H 1 1.240 0.030 . 1 . . . A 39 THR HG22 . 19331 1 333 . 1 1 39 39 THR HG23 H 1 1.240 0.030 . 1 . . . A 39 THR HG23 . 19331 1 334 . 1 1 39 39 THR C C 13 174.977 0.400 . 1 . . . A 39 THR C . 19331 1 335 . 1 1 39 39 THR CA C 13 62.252 0.400 . 1 . . . A 39 THR CA . 19331 1 336 . 1 1 39 39 THR CB C 13 69.773 0.400 . 1 . . . A 39 THR CB . 19331 1 337 . 1 1 39 39 THR CG2 C 13 21.412 0.400 . 1 . . . A 39 THR CG2 . 19331 1 338 . 1 1 39 39 THR N N 15 113.289 0.400 . 1 . . . A 39 THR N . 19331 1 339 . 1 1 40 40 GLY H H 1 8.425 0.030 . 1 . . . A 40 GLY H . 19331 1 340 . 1 1 40 40 GLY HA2 H 1 3.983 0.030 . 1 . . . A 40 GLY HA2 . 19331 1 341 . 1 1 40 40 GLY HA3 H 1 3.983 0.030 . 1 . . . A 40 GLY HA3 . 19331 1 342 . 1 1 40 40 GLY C C 13 173.802 0.400 . 1 . . . A 40 GLY C . 19331 1 343 . 1 1 40 40 GLY CA C 13 45.173 0.400 . 1 . . . A 40 GLY CA . 19331 1 344 . 1 1 40 40 GLY N N 15 110.879 0.400 . 1 . . . A 40 GLY N . 19331 1 345 . 1 1 41 41 GLU H H 1 8.127 0.030 . 1 . . . A 41 GLU H . 19331 1 346 . 1 1 41 41 GLU HA H 1 4.222 0.030 . 1 . . . A 41 GLU HA . 19331 1 347 . 1 1 41 41 GLU HB2 H 1 1.635 0.030 . 2 . . . A 41 GLU HB2 . 19331 1 348 . 1 1 41 41 GLU HB3 H 1 1.447 0.030 . 2 . . . A 41 GLU HB3 . 19331 1 349 . 1 1 41 41 GLU HG2 H 1 2.250 0.030 . 2 . . . A 41 GLU HG2 . 19331 1 350 . 1 1 41 41 GLU HG3 H 1 2.302 0.030 . 2 . . . A 41 GLU HG3 . 19331 1 351 . 1 1 41 41 GLU C C 13 176.151 0.400 . 1 . . . A 41 GLU C . 19331 1 352 . 1 1 41 41 GLU CA C 13 56.710 0.400 . 1 . . . A 41 GLU CA . 19331 1 353 . 1 1 41 41 GLU CB C 13 30.550 0.400 . 1 . . . A 41 GLU CB . 19331 1 354 . 1 1 41 41 GLU CG C 13 35.790 0.400 . 1 . . . A 41 GLU CG . 19331 1 355 . 1 1 41 41 GLU N N 15 120.081 0.400 . 1 . . . A 41 GLU N . 19331 1 356 . 1 1 42 42 ARG H H 1 8.370 0.030 . 1 . . . A 42 ARG H . 19331 1 357 . 1 1 42 42 ARG HA H 1 4.530 0.030 . 1 . . . A 42 ARG HA . 19331 1 358 . 1 1 42 42 ARG HB2 H 1 1.556 0.030 . 1 . . . A 42 ARG HB2 . 19331 1 359 . 1 1 42 42 ARG HB3 H 1 1.556 0.030 . 1 . . . A 42 ARG HB3 . 19331 1 360 . 1 1 42 42 ARG HG2 H 1 1.427 0.030 . 1 . . . A 42 ARG HG2 . 19331 1 361 . 1 1 42 42 ARG HG3 H 1 1.427 0.030 . 1 . . . A 42 ARG HG3 . 19331 1 362 . 1 1 42 42 ARG HD2 H 1 2.970 0.030 . 1 . . . A 42 ARG HD2 . 19331 1 363 . 1 1 42 42 ARG HD3 H 1 2.970 0.030 . 1 . . . A 42 ARG HD3 . 19331 1 364 . 1 1 42 42 ARG HE H 1 6.959 0.030 . 1 . . . A 42 ARG HE . 19331 1 365 . 1 1 42 42 ARG CA C 13 53.378 0.400 . 1 . . . A 42 ARG CA . 19331 1 366 . 1 1 42 42 ARG CB C 13 30.025 0.400 . 1 . . . A 42 ARG CB . 19331 1 367 . 1 1 42 42 ARG CG C 13 27.044 0.400 . 1 . . . A 42 ARG CG . 19331 1 368 . 1 1 42 42 ARG CD C 13 43.389 0.400 . 1 . . . A 42 ARG CD . 19331 1 369 . 1 1 42 42 ARG N N 15 121.379 0.400 . 1 . . . A 42 ARG N . 19331 1 370 . 1 1 42 42 ARG NE N 15 84.066 0.400 . 1 . . . A 42 ARG NE . 19331 1 371 . 1 1 43 43 PRO HA H 1 4.260 0.030 . 1 . . . A 43 PRO HA . 19331 1 372 . 1 1 43 43 PRO HB2 H 1 1.970 0.030 . 2 . . . A 43 PRO HB2 . 19331 1 373 . 1 1 43 43 PRO HB3 H 1 1.126 0.030 . 2 . . . A 43 PRO HB3 . 19331 1 374 . 1 1 43 43 PRO HG2 H 1 1.825 0.030 . 2 . . . A 43 PRO HG2 . 19331 1 375 . 1 1 43 43 PRO HG3 H 1 1.555 0.030 . 2 . . . A 43 PRO HG3 . 19331 1 376 . 1 1 43 43 PRO HD2 H 1 3.660 0.030 . 1 . . . A 43 PRO HD2 . 19331 1 377 . 1 1 43 43 PRO HD3 H 1 3.660 0.030 . 1 . . . A 43 PRO HD3 . 19331 1 378 . 1 1 43 43 PRO C C 13 176.151 0.400 . 1 . . . A 43 PRO C . 19331 1 379 . 1 1 43 43 PRO CA C 13 63.652 0.400 . 1 . . . A 43 PRO CA . 19331 1 380 . 1 1 43 43 PRO CB C 13 32.069 0.400 . 1 . . . A 43 PRO CB . 19331 1 381 . 1 1 43 43 PRO CG C 13 26.441 0.400 . 1 . . . A 43 PRO CG . 19331 1 382 . 1 1 43 43 PRO CD C 13 50.165 0.400 . 1 . . . A 43 PRO CD . 19331 1 383 . 1 1 44 44 PHE H H 1 7.659 0.030 . 1 . . . A 44 PHE H . 19331 1 384 . 1 1 44 44 PHE HA H 1 4.845 0.030 . 1 . . . A 44 PHE HA . 19331 1 385 . 1 1 44 44 PHE HB2 H 1 3.125 0.030 . 2 . . . A 44 PHE HB2 . 19331 1 386 . 1 1 44 44 PHE HB3 H 1 2.856 0.030 . 2 . . . A 44 PHE HB3 . 19331 1 387 . 1 1 44 44 PHE HD1 H 1 7.111 0.030 . 1 . . . A 44 PHE HD1 . 19331 1 388 . 1 1 44 44 PHE HD2 H 1 7.111 0.030 . 1 . . . A 44 PHE HD2 . 19331 1 389 . 1 1 44 44 PHE HE1 H 1 7.426 0.030 . 1 . . . A 44 PHE HE1 . 19331 1 390 . 1 1 44 44 PHE HE2 H 1 7.426 0.030 . 1 . . . A 44 PHE HE2 . 19331 1 391 . 1 1 44 44 PHE C C 13 174.603 0.400 . 1 . . . A 44 PHE C . 19331 1 392 . 1 1 44 44 PHE CA C 13 57.080 0.400 . 1 . . . A 44 PHE CA . 19331 1 393 . 1 1 44 44 PHE CB C 13 39.654 0.400 . 1 . . . A 44 PHE CB . 19331 1 394 . 1 1 44 44 PHE CD1 C 13 131.589 0.400 . 1 . . . A 44 PHE CD1 . 19331 1 395 . 1 1 44 44 PHE CD2 C 13 131.589 0.400 . 1 . . . A 44 PHE CD2 . 19331 1 396 . 1 1 44 44 PHE CE1 C 13 131.519 0.400 . 1 . . . A 44 PHE CE1 . 19331 1 397 . 1 1 44 44 PHE CE2 C 13 131.519 0.400 . 1 . . . A 44 PHE CE2 . 19331 1 398 . 1 1 44 44 PHE N N 15 116.589 0.400 . 1 . . . A 44 PHE N . 19331 1 399 . 1 1 45 45 HIS H H 1 9.070 0.030 . 1 . . . A 45 HIS H . 19331 1 400 . 1 1 45 45 HIS HA H 1 5.291 0.030 . 1 . . . A 45 HIS HA . 19331 1 401 . 1 1 45 45 HIS HB2 H 1 3.091 0.030 . 2 . . . A 45 HIS HB2 . 19331 1 402 . 1 1 45 45 HIS HB3 H 1 3.045 0.030 . 2 . . . A 45 HIS HB3 . 19331 1 403 . 1 1 45 45 HIS HD2 H 1 6.976 0.030 . 1 . . . A 45 HIS HD2 . 19331 1 404 . 1 1 45 45 HIS HE1 H 1 7.805 0.030 . 1 . . . A 45 HIS HE1 . 19331 1 405 . 1 1 45 45 HIS C C 13 172.655 0.400 . 1 . . . A 45 HIS C . 19331 1 406 . 1 1 45 45 HIS CA C 13 54.560 0.400 . 1 . . . A 45 HIS CA . 19331 1 407 . 1 1 45 45 HIS CB C 13 31.774 0.400 . 1 . . . A 45 HIS CB . 19331 1 408 . 1 1 45 45 HIS CD2 C 13 119.718 0.400 . 1 . . . A 45 HIS CD2 . 19331 1 409 . 1 1 45 45 HIS N N 15 121.791 0.400 . 1 . . . A 45 HIS N . 19331 1 410 . 1 1 45 45 HIS ND1 N 15 173.162 0.400 . 1 . . . A 45 HIS ND1 . 19331 1 411 . 1 1 46 46 CYS H H 1 9.189 0.030 . 1 . . . A 46 CYS H . 19331 1 412 . 1 1 46 46 CYS HA H 1 4.542 0.030 . 1 . . . A 46 CYS HA . 19331 1 413 . 1 1 46 46 CYS HB2 H 1 2.765 0.030 . 1 . . . A 46 CYS HB2 . 19331 1 414 . 1 1 46 46 CYS HB3 H 1 3.391 0.030 . 1 . . . A 46 CYS HB3 . 19331 1 415 . 1 1 46 46 CYS C C 13 176.525 0.400 . 1 . . . A 46 CYS C . 19331 1 416 . 1 1 46 46 CYS CA C 13 59.233 0.400 . 1 . . . A 46 CYS CA . 19331 1 417 . 1 1 46 46 CYS CB C 13 29.948 0.400 . 1 . . . A 46 CYS CB . 19331 1 418 . 1 1 46 46 CYS N N 15 125.392 0.400 . 1 . . . A 46 CYS N . 19331 1 419 . 1 1 47 47 ASN H H 1 9.302 0.030 . 1 . . . A 47 ASN H . 19331 1 420 . 1 1 47 47 ASN HA H 1 4.697 0.030 . 1 . . . A 47 ASN HA . 19331 1 421 . 1 1 47 47 ASN HB2 H 1 2.989 0.030 . 2 . . . A 47 ASN HB2 . 19331 1 422 . 1 1 47 47 ASN HB3 H 1 2.936 0.030 . 2 . . . A 47 ASN HB3 . 19331 1 423 . 1 1 47 47 ASN HD21 H 1 6.993 0.030 . 2 . . . A 47 ASN HD21 . 19331 1 424 . 1 1 47 47 ASN HD22 H 1 7.677 0.030 . 2 . . . A 47 ASN HD22 . 19331 1 425 . 1 1 47 47 ASN C C 13 175.433 0.400 . 1 . . . A 47 ASN C . 19331 1 426 . 1 1 47 47 ASN CA C 13 54.982 0.400 . 1 . . . A 47 ASN CA . 19331 1 427 . 1 1 47 47 ASN CB C 13 38.237 0.400 . 1 . . . A 47 ASN CB . 19331 1 428 . 1 1 47 47 ASN N N 15 128.827 0.400 . 1 . . . A 47 ASN N . 19331 1 429 . 1 1 47 47 ASN ND2 N 15 112.408 0.400 . 1 . . . A 47 ASN ND2 . 19331 1 430 . 1 1 48 48 GLN H H 1 9.139 0.030 . 1 . . . A 48 GLN H . 19331 1 431 . 1 1 48 48 GLN HA H 1 4.307 0.030 . 1 . . . A 48 GLN HA . 19331 1 432 . 1 1 48 48 GLN HB2 H 1 1.497 0.030 . 2 . . . A 48 GLN HB2 . 19331 1 433 . 1 1 48 48 GLN HB3 H 1 1.411 0.030 . 2 . . . A 48 GLN HB3 . 19331 1 434 . 1 1 48 48 GLN HG2 H 1 2.114 0.030 . 2 . . . A 48 GLN HG2 . 19331 1 435 . 1 1 48 48 GLN HG3 H 1 1.991 0.030 . 2 . . . A 48 GLN HG3 . 19331 1 436 . 1 1 48 48 GLN HE21 H 1 6.839 0.030 . 2 . . . A 48 GLN HE21 . 19331 1 437 . 1 1 48 48 GLN HE22 H 1 7.440 0.030 . 2 . . . A 48 GLN HE22 . 19331 1 438 . 1 1 48 48 GLN C C 13 176.151 0.400 . 1 . . . A 48 GLN C . 19331 1 439 . 1 1 48 48 GLN CA C 13 57.832 0.400 . 1 . . . A 48 GLN CA . 19331 1 440 . 1 1 48 48 GLN CB C 13 29.163 0.400 . 1 . . . A 48 GLN CB . 19331 1 441 . 1 1 48 48 GLN CG C 13 33.936 0.400 . 1 . . . A 48 GLN CG . 19331 1 442 . 1 1 48 48 GLN N N 15 120.952 0.400 . 1 . . . A 48 GLN N . 19331 1 443 . 1 1 48 48 GLN NE2 N 15 111.039 0.400 . 1 . . . A 48 GLN NE2 . 19331 1 444 . 1 1 49 49 CYS H H 1 8.117 0.030 . 1 . . . A 49 CYS H . 19331 1 445 . 1 1 49 49 CYS HA H 1 5.149 0.030 . 1 . . . A 49 CYS HA . 19331 1 446 . 1 1 49 49 CYS HB2 H 1 3.437 0.030 . 2 . . . A 49 CYS HB2 . 19331 1 447 . 1 1 49 49 CYS HB3 H 1 2.895 0.030 . 2 . . . A 49 CYS HB3 . 19331 1 448 . 1 1 49 49 CYS C C 13 175.430 0.400 . 1 . . . A 49 CYS C . 19331 1 449 . 1 1 49 49 CYS CA C 13 58.349 0.400 . 1 . . . A 49 CYS CA . 19331 1 450 . 1 1 49 49 CYS CB C 13 32.264 0.400 . 1 . . . A 49 CYS CB . 19331 1 451 . 1 1 49 49 CYS N N 15 116.176 0.400 . 1 . . . A 49 CYS N . 19331 1 452 . 1 1 50 50 GLY H H 1 8.142 0.030 . 1 . . . A 50 GLY H . 19331 1 453 . 1 1 50 50 GLY HA2 H 1 4.223 0.030 . 2 . . . A 50 GLY HA2 . 19331 1 454 . 1 1 50 50 GLY HA3 H 1 3.885 0.030 . 2 . . . A 50 GLY HA3 . 19331 1 455 . 1 1 50 50 GLY C C 13 173.758 0.400 . 1 . . . A 50 GLY C . 19331 1 456 . 1 1 50 50 GLY CA C 13 45.891 0.400 . 1 . . . A 50 GLY CA . 19331 1 457 . 1 1 50 50 GLY N N 15 111.724 0.400 . 1 . . . A 50 GLY N . 19331 1 458 . 1 1 51 51 ALA H H 1 8.420 0.030 . 1 . . . A 51 ALA H . 19331 1 459 . 1 1 51 51 ALA HA H 1 4.087 0.030 . 1 . . . A 51 ALA HA . 19331 1 460 . 1 1 51 51 ALA HB1 H 1 0.978 0.030 . 1 . . . A 51 ALA HB1 . 19331 1 461 . 1 1 51 51 ALA HB2 H 1 0.978 0.030 . 1 . . . A 51 ALA HB2 . 19331 1 462 . 1 1 51 51 ALA HB3 H 1 0.978 0.030 . 1 . . . A 51 ALA HB3 . 19331 1 463 . 1 1 51 51 ALA C C 13 175.350 0.400 . 1 . . . A 51 ALA C . 19331 1 464 . 1 1 51 51 ALA CA C 13 53.505 0.400 . 1 . . . A 51 ALA CA . 19331 1 465 . 1 1 51 51 ALA CB C 13 19.611 0.400 . 1 . . . A 51 ALA CB . 19331 1 466 . 1 1 51 51 ALA N N 15 126.041 0.400 . 1 . . . A 51 ALA N . 19331 1 467 . 1 1 52 52 SER H H 1 7.829 0.030 . 1 . . . A 52 SER H . 19331 1 468 . 1 1 52 52 SER HA H 1 5.255 0.030 . 1 . . . A 52 SER HA . 19331 1 469 . 1 1 52 52 SER HB2 H 1 3.565 0.030 . 1 . . . A 52 SER HB2 . 19331 1 470 . 1 1 52 52 SER HB3 H 1 3.565 0.030 . 1 . . . A 52 SER HB3 . 19331 1 471 . 1 1 52 52 SER C C 13 173.002 0.400 . 1 . . . A 52 SER C . 19331 1 472 . 1 1 52 52 SER CA C 13 56.680 0.400 . 1 . . . A 52 SER CA . 19331 1 473 . 1 1 52 52 SER CB C 13 65.958 0.400 . 1 . . . A 52 SER CB . 19331 1 474 . 1 1 52 52 SER N N 15 113.511 0.400 . 1 . . . A 52 SER N . 19331 1 475 . 1 1 53 53 PHE H H 1 8.802 0.030 . 1 . . . A 53 PHE H . 19331 1 476 . 1 1 53 53 PHE HA H 1 4.878 0.030 . 1 . . . A 53 PHE HA . 19331 1 477 . 1 1 53 53 PHE HB2 H 1 3.592 0.030 . 2 . . . A 53 PHE HB2 . 19331 1 478 . 1 1 53 53 PHE HB3 H 1 2.534 0.030 . 2 . . . A 53 PHE HB3 . 19331 1 479 . 1 1 53 53 PHE HD1 H 1 7.187 0.030 . 1 . . . A 53 PHE HD1 . 19331 1 480 . 1 1 53 53 PHE HD2 H 1 7.187 0.030 . 1 . . . A 53 PHE HD2 . 19331 1 481 . 1 1 53 53 PHE HE1 H 1 6.845 0.030 . 1 . . . A 53 PHE HE1 . 19331 1 482 . 1 1 53 53 PHE HE2 H 1 6.845 0.030 . 1 . . . A 53 PHE HE2 . 19331 1 483 . 1 1 53 53 PHE HZ H 1 6.342 0.030 . 1 . . . A 53 PHE HZ . 19331 1 484 . 1 1 53 53 PHE C C 13 174.977 0.400 . 1 . . . A 53 PHE C . 19331 1 485 . 1 1 53 53 PHE CA C 13 57.556 0.400 . 1 . . . A 53 PHE CA . 19331 1 486 . 1 1 53 53 PHE CB C 13 43.874 0.400 . 1 . . . A 53 PHE CB . 19331 1 487 . 1 1 53 53 PHE CD1 C 13 131.995 0.400 . 1 . . . A 53 PHE CD1 . 19331 1 488 . 1 1 53 53 PHE CD2 C 13 131.995 0.400 . 1 . . . A 53 PHE CD2 . 19331 1 489 . 1 1 53 53 PHE CE1 C 13 130.820 0.400 . 1 . . . A 53 PHE CE1 . 19331 1 490 . 1 1 53 53 PHE CE2 C 13 130.820 0.400 . 1 . . . A 53 PHE CE2 . 19331 1 491 . 1 1 53 53 PHE CZ C 13 129.153 0.400 . 1 . . . A 53 PHE CZ . 19331 1 492 . 1 1 53 53 PHE N N 15 117.376 0.400 . 1 . . . A 53 PHE N . 19331 1 493 . 1 1 54 54 THR H H 1 9.129 0.030 . 1 . . . A 54 THR H . 19331 1 494 . 1 1 54 54 THR HA H 1 4.553 0.030 . 1 . . . A 54 THR HA . 19331 1 495 . 1 1 54 54 THR HB H 1 4.494 0.030 . 1 . . . A 54 THR HB . 19331 1 496 . 1 1 54 54 THR HG21 H 1 1.405 0.030 . 1 . . . A 54 THR HG21 . 19331 1 497 . 1 1 54 54 THR HG22 H 1 1.405 0.030 . 1 . . . A 54 THR HG22 . 19331 1 498 . 1 1 54 54 THR HG23 H 1 1.405 0.030 . 1 . . . A 54 THR HG23 . 19331 1 499 . 1 1 54 54 THR C C 13 174.229 0.400 . 1 . . . A 54 THR C . 19331 1 500 . 1 1 54 54 THR CA C 13 63.789 0.400 . 1 . . . A 54 THR CA . 19331 1 501 . 1 1 54 54 THR CB C 13 69.491 0.400 . 1 . . . A 54 THR CB . 19331 1 502 . 1 1 54 54 THR CG2 C 13 22.595 0.400 . 1 . . . A 54 THR CG2 . 19331 1 503 . 1 1 54 54 THR N N 15 114.290 0.400 . 1 . . . A 54 THR N . 19331 1 504 . 1 1 55 55 GLN H H 1 7.563 0.030 . 1 . . . A 55 GLN H . 19331 1 505 . 1 1 55 55 GLN HA H 1 4.784 0.030 . 1 . . . A 55 GLN HA . 19331 1 506 . 1 1 55 55 GLN HB2 H 1 2.220 0.030 . 1 . . . A 55 GLN HB2 . 19331 1 507 . 1 1 55 55 GLN HB3 H 1 1.933 0.030 . 1 . . . A 55 GLN HB3 . 19331 1 508 . 1 1 55 55 GLN HG2 H 1 2.461 0.030 . 1 . . . A 55 GLN HG2 . 19331 1 509 . 1 1 55 55 GLN HG3 H 1 2.461 0.030 . 1 . . . A 55 GLN HG3 . 19331 1 510 . 1 1 55 55 GLN HE21 H 1 6.908 0.030 . 2 . . . A 55 GLN HE21 . 19331 1 511 . 1 1 55 55 GLN HE22 H 1 7.516 0.030 . 2 . . . A 55 GLN HE22 . 19331 1 512 . 1 1 55 55 GLN C C 13 176.124 0.400 . 1 . . . A 55 GLN C . 19331 1 513 . 1 1 55 55 GLN CA C 13 54.065 0.400 . 1 . . . A 55 GLN CA . 19331 1 514 . 1 1 55 55 GLN CB C 13 31.444 0.400 . 1 . . . A 55 GLN CB . 19331 1 515 . 1 1 55 55 GLN CG C 13 33.144 0.400 . 1 . . . A 55 GLN CG . 19331 1 516 . 1 1 55 55 GLN N N 15 117.684 0.400 . 1 . . . A 55 GLN N . 19331 1 517 . 1 1 55 55 GLN NE2 N 15 111.974 0.400 . 1 . . . A 55 GLN NE2 . 19331 1 518 . 1 1 56 56 LYS H H 1 8.680 0.030 . 1 . . . A 56 LYS H . 19331 1 519 . 1 1 56 56 LYS HA H 1 2.791 0.030 . 1 . . . A 56 LYS HA . 19331 1 520 . 1 1 56 56 LYS HB2 H 1 1.400 0.030 . 2 . . . A 56 LYS HB2 . 19331 1 521 . 1 1 56 56 LYS HB3 H 1 1.050 0.030 . 2 . . . A 56 LYS HB3 . 19331 1 522 . 1 1 56 56 LYS HG2 H 1 0.926 0.030 . 2 . . . A 56 LYS HG2 . 19331 1 523 . 1 1 56 56 LYS HG3 H 1 1.143 0.030 . 2 . . . A 56 LYS HG3 . 19331 1 524 . 1 1 56 56 LYS HD2 H 1 1.545 0.030 . 1 . . . A 56 LYS HD2 . 19331 1 525 . 1 1 56 56 LYS HD3 H 1 1.545 0.030 . 1 . . . A 56 LYS HD3 . 19331 1 526 . 1 1 56 56 LYS HE2 H 1 2.959 0.030 . 1 . . . A 56 LYS HE2 . 19331 1 527 . 1 1 56 56 LYS HE3 H 1 2.959 0.030 . 1 . . . A 56 LYS HE3 . 19331 1 528 . 1 1 56 56 LYS C C 13 178.179 0.400 . 1 . . . A 56 LYS C . 19331 1 529 . 1 1 56 56 LYS CA C 13 59.297 0.400 . 1 . . . A 56 LYS CA . 19331 1 530 . 1 1 56 56 LYS CB C 13 31.734 0.400 . 1 . . . A 56 LYS CB . 19331 1 531 . 1 1 56 56 LYS CG C 13 24.725 0.400 . 1 . . . A 56 LYS CG . 19331 1 532 . 1 1 56 56 LYS CD C 13 29.274 0.400 . 1 . . . A 56 LYS CD . 19331 1 533 . 1 1 56 56 LYS CE C 13 41.881 0.400 . 1 . . . A 56 LYS CE . 19331 1 534 . 1 1 56 56 LYS N N 15 127.497 0.400 . 1 . . . A 56 LYS N . 19331 1 535 . 1 1 57 57 GLY H H 1 8.900 0.030 . 1 . . . A 57 GLY H . 19331 1 536 . 1 1 57 57 GLY HA2 H 1 3.591 0.030 . 2 . . . A 57 GLY HA2 . 19331 1 537 . 1 1 57 57 GLY HA3 H 1 3.844 0.030 . 2 . . . A 57 GLY HA3 . 19331 1 538 . 1 1 57 57 GLY C C 13 176.204 0.400 . 1 . . . A 57 GLY C . 19331 1 539 . 1 1 57 57 GLY CA C 13 47.070 0.400 . 1 . . . A 57 GLY CA . 19331 1 540 . 1 1 57 57 GLY N N 15 105.111 0.400 . 1 . . . A 57 GLY N . 19331 1 541 . 1 1 58 58 ASN H H 1 6.958 0.030 . 1 . . . A 58 ASN H . 19331 1 542 . 1 1 58 58 ASN HA H 1 4.448 0.030 . 1 . . . A 58 ASN HA . 19331 1 543 . 1 1 58 58 ASN HB2 H 1 2.904 0.030 . 1 . . . A 58 ASN HB2 . 19331 1 544 . 1 1 58 58 ASN HB3 H 1 2.809 0.030 . 1 . . . A 58 ASN HB3 . 19331 1 545 . 1 1 58 58 ASN HD21 H 1 7.025 0.030 . 2 . . . A 58 ASN HD21 . 19331 1 546 . 1 1 58 58 ASN HD22 H 1 7.666 0.030 . 2 . . . A 58 ASN HD22 . 19331 1 547 . 1 1 58 58 ASN C C 13 177.325 0.400 . 1 . . . A 58 ASN C . 19331 1 548 . 1 1 58 58 ASN CA C 13 54.912 0.400 . 1 . . . A 58 ASN CA . 19331 1 549 . 1 1 58 58 ASN CB C 13 37.462 0.400 . 1 . . . A 58 ASN CB . 19331 1 550 . 1 1 58 58 ASN N N 15 117.732 0.400 . 1 . . . A 58 ASN N . 19331 1 551 . 1 1 58 58 ASN ND2 N 15 113.600 0.400 . 1 . . . A 58 ASN ND2 . 19331 1 552 . 1 1 59 59 LEU H H 1 6.885 0.030 . 1 . . . A 59 LEU H . 19331 1 553 . 1 1 59 59 LEU HA H 1 3.126 0.030 . 1 . . . A 59 LEU HA . 19331 1 554 . 1 1 59 59 LEU HB2 H 1 1.144 0.030 . 1 . . . A 59 LEU HB2 . 19331 1 555 . 1 1 59 59 LEU HB3 H 1 2.031 0.030 . 1 . . . A 59 LEU HB3 . 19331 1 556 . 1 1 59 59 LEU HG H 1 1.500 0.030 . 1 . . . A 59 LEU HG . 19331 1 557 . 1 1 59 59 LEU HD11 H 1 0.943 0.030 . 1 . . . A 59 LEU HD11 . 19331 1 558 . 1 1 59 59 LEU HD12 H 1 0.943 0.030 . 1 . . . A 59 LEU HD12 . 19331 1 559 . 1 1 59 59 LEU HD13 H 1 0.943 0.030 . 1 . . . A 59 LEU HD13 . 19331 1 560 . 1 1 59 59 LEU HD21 H 1 1.034 0.030 . 1 . . . A 59 LEU HD21 . 19331 1 561 . 1 1 59 59 LEU HD22 H 1 1.034 0.030 . 1 . . . A 59 LEU HD22 . 19331 1 562 . 1 1 59 59 LEU HD23 H 1 1.034 0.030 . 1 . . . A 59 LEU HD23 . 19331 1 563 . 1 1 59 59 LEU C C 13 177.352 0.400 . 1 . . . A 59 LEU C . 19331 1 564 . 1 1 59 59 LEU CA C 13 57.659 0.400 . 1 . . . A 59 LEU CA . 19331 1 565 . 1 1 59 59 LEU CB C 13 39.910 0.400 . 1 . . . A 59 LEU CB . 19331 1 566 . 1 1 59 59 LEU CG C 13 27.511 0.400 . 1 . . . A 59 LEU CG . 19331 1 567 . 1 1 59 59 LEU CD1 C 13 22.999 0.400 . 1 . . . A 59 LEU CD1 . 19331 1 568 . 1 1 59 59 LEU CD2 C 13 26.209 0.400 . 1 . . . A 59 LEU CD2 . 19331 1 569 . 1 1 59 59 LEU N N 15 123.027 0.400 . 1 . . . A 59 LEU N . 19331 1 570 . 1 1 60 60 LEU H H 1 8.078 0.030 . 1 . . . A 60 LEU H . 19331 1 571 . 1 1 60 60 LEU HA H 1 3.896 0.030 . 1 . . . A 60 LEU HA . 19331 1 572 . 1 1 60 60 LEU HB2 H 1 1.754 0.030 . 1 . . . A 60 LEU HB2 . 19331 1 573 . 1 1 60 60 LEU HB3 H 1 1.459 0.030 . 1 . . . A 60 LEU HB3 . 19331 1 574 . 1 1 60 60 LEU HG H 1 1.675 0.030 . 1 . . . A 60 LEU HG . 19331 1 575 . 1 1 60 60 LEU HD11 H 1 0.903 0.030 . 1 . . . A 60 LEU HD11 . 19331 1 576 . 1 1 60 60 LEU HD12 H 1 0.903 0.030 . 1 . . . A 60 LEU HD12 . 19331 1 577 . 1 1 60 60 LEU HD13 H 1 0.903 0.030 . 1 . . . A 60 LEU HD13 . 19331 1 578 . 1 1 60 60 LEU HD21 H 1 0.815 0.030 . 1 . . . A 60 LEU HD21 . 19331 1 579 . 1 1 60 60 LEU HD22 H 1 0.815 0.030 . 1 . . . A 60 LEU HD22 . 19331 1 580 . 1 1 60 60 LEU HD23 H 1 0.815 0.030 . 1 . . . A 60 LEU HD23 . 19331 1 581 . 1 1 60 60 LEU C C 13 179.669 0.400 . 1 . . . A 60 LEU C . 19331 1 582 . 1 1 60 60 LEU CA C 13 58.138 0.400 . 1 . . . A 60 LEU CA . 19331 1 583 . 1 1 60 60 LEU CB C 13 40.632 0.400 . 1 . . . A 60 LEU CB . 19331 1 584 . 1 1 60 60 LEU CG C 13 26.757 0.400 . 1 . . . A 60 LEU CG . 19331 1 585 . 1 1 60 60 LEU CD1 C 13 24.762 0.400 . 1 . . . A 60 LEU CD1 . 19331 1 586 . 1 1 60 60 LEU CD2 C 13 22.148 0.400 . 1 . . . A 60 LEU CD2 . 19331 1 587 . 1 1 60 60 LEU N N 15 117.860 0.400 . 1 . . . A 60 LEU N . 19331 1 588 . 1 1 61 61 ARG H H 1 7.414 0.030 . 1 . . . A 61 ARG H . 19331 1 589 . 1 1 61 61 ARG HA H 1 3.928 0.030 . 1 . . . A 61 ARG HA . 19331 1 590 . 1 1 61 61 ARG HB2 H 1 1.779 0.030 . 1 . . . A 61 ARG HB2 . 19331 1 591 . 1 1 61 61 ARG HB3 H 1 1.779 0.030 . 1 . . . A 61 ARG HB3 . 19331 1 592 . 1 1 61 61 ARG HG2 H 1 1.565 0.030 . 2 . . . A 61 ARG HG2 . 19331 1 593 . 1 1 61 61 ARG HG3 H 1 1.753 0.030 . 2 . . . A 61 ARG HG3 . 19331 1 594 . 1 1 61 61 ARG HD2 H 1 3.190 0.030 . 1 . . . A 61 ARG HD2 . 19331 1 595 . 1 1 61 61 ARG HD3 H 1 3.190 0.030 . 1 . . . A 61 ARG HD3 . 19331 1 596 . 1 1 61 61 ARG HE H 1 7.199 0.030 . 1 . . . A 61 ARG HE . 19331 1 597 . 1 1 61 61 ARG C C 13 177.752 0.400 . 1 . . . A 61 ARG C . 19331 1 598 . 1 1 61 61 ARG CA C 13 59.258 0.400 . 1 . . . A 61 ARG CA . 19331 1 599 . 1 1 61 61 ARG CB C 13 30.346 0.400 . 1 . . . A 61 ARG CB . 19331 1 600 . 1 1 61 61 ARG CG C 13 27.840 0.400 . 1 . . . A 61 ARG CG . 19331 1 601 . 1 1 61 61 ARG CD C 13 43.163 0.400 . 1 . . . A 61 ARG CD . 19331 1 602 . 1 1 61 61 ARG N N 15 117.382 0.400 . 1 . . . A 61 ARG N . 19331 1 603 . 1 1 61 61 ARG NE N 15 83.881 0.400 . 1 . . . A 61 ARG NE . 19331 1 604 . 1 1 61 61 ARG NH1 N 15 84.729 0.400 . 1 . . . A 61 ARG NH1 . 19331 1 605 . 1 1 62 62 HIS H H 1 7.360 0.030 . 1 . . . A 62 HIS H . 19331 1 606 . 1 1 62 62 HIS HA H 1 4.111 0.030 . 1 . . . A 62 HIS HA . 19331 1 607 . 1 1 62 62 HIS HB2 H 1 3.257 0.030 . 1 . . . A 62 HIS HB2 . 19331 1 608 . 1 1 62 62 HIS HB3 H 1 2.915 0.030 . 1 . . . A 62 HIS HB3 . 19331 1 609 . 1 1 62 62 HIS HD2 H 1 7.029 0.030 . 1 . . . A 62 HIS HD2 . 19331 1 610 . 1 1 62 62 HIS HE1 H 1 7.922 0.030 . 1 . . . A 62 HIS HE1 . 19331 1 611 . 1 1 62 62 HIS C C 13 176.978 0.400 . 1 . . . A 62 HIS C . 19331 1 612 . 1 1 62 62 HIS CA C 13 59.566 0.400 . 1 . . . A 62 HIS CA . 19331 1 613 . 1 1 62 62 HIS CB C 13 28.558 0.400 . 1 . . . A 62 HIS CB . 19331 1 614 . 1 1 62 62 HIS CD2 C 13 126.962 0.400 . 1 . . . A 62 HIS CD2 . 19331 1 615 . 1 1 62 62 HIS CE1 C 13 139.548 0.400 . 1 . . . A 62 HIS CE1 . 19331 1 616 . 1 1 62 62 HIS N N 15 119.118 0.400 . 1 . . . A 62 HIS N . 19331 1 617 . 1 1 62 62 HIS ND1 N 15 172.920 0.400 . 1 . . . A 62 HIS ND1 . 19331 1 618 . 1 1 62 62 HIS NE2 N 15 216.641 0.400 . 1 . . . A 62 HIS NE2 . 19331 1 619 . 1 1 63 63 ILE H H 1 8.500 0.030 . 1 . . . A 63 ILE H . 19331 1 620 . 1 1 63 63 ILE HA H 1 3.669 0.030 . 1 . . . A 63 ILE HA . 19331 1 621 . 1 1 63 63 ILE HB H 1 2.011 0.030 . 1 . . . A 63 ILE HB . 19331 1 622 . 1 1 63 63 ILE HG12 H 1 1.595 0.030 . 2 . . . A 63 ILE HG12 . 19331 1 623 . 1 1 63 63 ILE HG13 H 1 1.847 0.030 . 2 . . . A 63 ILE HG13 . 19331 1 624 . 1 1 63 63 ILE HG21 H 1 1.164 0.030 . 1 . . . A 63 ILE HG21 . 19331 1 625 . 1 1 63 63 ILE HG22 H 1 1.164 0.030 . 1 . . . A 63 ILE HG22 . 19331 1 626 . 1 1 63 63 ILE HG23 H 1 1.164 0.030 . 1 . . . A 63 ILE HG23 . 19331 1 627 . 1 1 63 63 ILE HD11 H 1 1.010 0.030 . 1 . . . A 63 ILE HD11 . 19331 1 628 . 1 1 63 63 ILE HD12 H 1 1.010 0.030 . 1 . . . A 63 ILE HD12 . 19331 1 629 . 1 1 63 63 ILE HD13 H 1 1.010 0.030 . 1 . . . A 63 ILE HD13 . 19331 1 630 . 1 1 63 63 ILE C C 13 178.526 0.400 . 1 . . . A 63 ILE C . 19331 1 631 . 1 1 63 63 ILE CA C 13 65.875 0.400 . 1 . . . A 63 ILE CA . 19331 1 632 . 1 1 63 63 ILE CB C 13 38.085 0.400 . 1 . . . A 63 ILE CB . 19331 1 633 . 1 1 63 63 ILE CG1 C 13 28.706 0.400 . 1 . . . A 63 ILE CG1 . 19331 1 634 . 1 1 63 63 ILE CG2 C 13 17.713 0.400 . 1 . . . A 63 ILE CG2 . 19331 1 635 . 1 1 63 63 ILE CD1 C 13 13.863 0.400 . 1 . . . A 63 ILE CD1 . 19331 1 636 . 1 1 63 63 ILE N N 15 116.662 0.400 . 1 . . . A 63 ILE N . 19331 1 637 . 1 1 64 64 LYS H H 1 7.174 0.030 . 1 . . . A 64 LYS H . 19331 1 638 . 1 1 64 64 LYS HA H 1 4.068 0.030 . 1 . . . A 64 LYS HA . 19331 1 639 . 1 1 64 64 LYS HB2 H 1 1.813 0.030 . 2 . . . A 64 LYS HB2 . 19331 1 640 . 1 1 64 64 LYS HB3 H 1 1.878 0.030 . 2 . . . A 64 LYS HB3 . 19331 1 641 . 1 1 64 64 LYS HG2 H 1 1.615 0.030 . 2 . . . A 64 LYS HG2 . 19331 1 642 . 1 1 64 64 LYS HG3 H 1 1.465 0.030 . 2 . . . A 64 LYS HG3 . 19331 1 643 . 1 1 64 64 LYS HD2 H 1 1.556 0.030 . 1 . . . A 64 LYS HD2 . 19331 1 644 . 1 1 64 64 LYS HD3 H 1 1.556 0.030 . 1 . . . A 64 LYS HD3 . 19331 1 645 . 1 1 64 64 LYS HE2 H 1 2.853 0.030 . 1 . . . A 64 LYS HE2 . 19331 1 646 . 1 1 64 64 LYS HE3 H 1 2.853 0.030 . 1 . . . A 64 LYS HE3 . 19331 1 647 . 1 1 64 64 LYS C C 13 178.553 0.400 . 1 . . . A 64 LYS C . 19331 1 648 . 1 1 64 64 LYS CA C 13 58.667 0.400 . 1 . . . A 64 LYS CA . 19331 1 649 . 1 1 64 64 LYS CB C 13 32.004 0.400 . 1 . . . A 64 LYS CB . 19331 1 650 . 1 1 64 64 LYS CG C 13 25.210 0.400 . 1 . . . A 64 LYS CG . 19331 1 651 . 1 1 64 64 LYS CD C 13 29.083 0.400 . 1 . . . A 64 LYS CD . 19331 1 652 . 1 1 64 64 LYS CE C 13 41.851 0.400 . 1 . . . A 64 LYS CE . 19331 1 653 . 1 1 64 64 LYS N N 15 119.456 0.400 . 1 . . . A 64 LYS N . 19331 1 654 . 1 1 65 65 LEU H H 1 7.744 0.030 . 1 . . . A 65 LEU H . 19331 1 655 . 1 1 65 65 LEU HA H 1 4.064 0.030 . 1 . . . A 65 LEU HA . 19331 1 656 . 1 1 65 65 LEU HB2 H 1 1.466 0.030 . 2 . . . A 65 LEU HB2 . 19331 1 657 . 1 1 65 65 LEU HB3 H 1 1.244 0.030 . 2 . . . A 65 LEU HB3 . 19331 1 658 . 1 1 65 65 LEU HG H 1 1.628 0.030 . 1 . . . A 65 LEU HG . 19331 1 659 . 1 1 65 65 LEU HD11 H 1 0.817 0.030 . 1 . . . A 65 LEU HD11 . 19331 1 660 . 1 1 65 65 LEU HD12 H 1 0.817 0.030 . 1 . . . A 65 LEU HD12 . 19331 1 661 . 1 1 65 65 LEU HD13 H 1 0.817 0.030 . 1 . . . A 65 LEU HD13 . 19331 1 662 . 1 1 65 65 LEU HD21 H 1 0.768 0.030 . 1 . . . A 65 LEU HD21 . 19331 1 663 . 1 1 65 65 LEU HD22 H 1 0.768 0.030 . 1 . . . A 65 LEU HD22 . 19331 1 664 . 1 1 65 65 LEU HD23 H 1 0.768 0.030 . 1 . . . A 65 LEU HD23 . 19331 1 665 . 1 1 65 65 LEU C C 13 178.980 0.400 . 1 . . . A 65 LEU C . 19331 1 666 . 1 1 65 65 LEU CA C 13 56.607 0.400 . 1 . . . A 65 LEU CA . 19331 1 667 . 1 1 65 65 LEU CB C 13 40.977 0.400 . 1 . . . A 65 LEU CB . 19331 1 668 . 1 1 65 65 LEU CG C 13 26.489 0.400 . 1 . . . A 65 LEU CG . 19331 1 669 . 1 1 65 65 LEU CD1 C 13 25.106 0.400 . 1 . . . A 65 LEU CD1 . 19331 1 670 . 1 1 65 65 LEU CD2 C 13 22.619 0.400 . 1 . . . A 65 LEU CD2 . 19331 1 671 . 1 1 65 65 LEU N N 15 118.539 0.400 . 1 . . . A 65 LEU N . 19331 1 672 . 1 1 66 66 HIS H H 1 7.357 0.030 . 1 . . . A 66 HIS H . 19331 1 673 . 1 1 66 66 HIS HA H 1 4.733 0.030 . 1 . . . A 66 HIS HA . 19331 1 674 . 1 1 66 66 HIS HB2 H 1 3.262 0.030 . 2 . . . A 66 HIS HB2 . 19331 1 675 . 1 1 66 66 HIS HB3 H 1 3.664 0.030 . 2 . . . A 66 HIS HB3 . 19331 1 676 . 1 1 66 66 HIS HD2 H 1 6.670 0.030 . 1 . . . A 66 HIS HD2 . 19331 1 677 . 1 1 66 66 HIS HE1 H 1 7.997 0.030 . 1 . . . A 66 HIS HE1 . 19331 1 678 . 1 1 66 66 HIS C C 13 175.671 0.400 . 1 . . . A 66 HIS C . 19331 1 679 . 1 1 66 66 HIS CA C 13 56.128 0.400 . 1 . . . A 66 HIS CA . 19331 1 680 . 1 1 66 66 HIS CB C 13 28.573 0.400 . 1 . . . A 66 HIS CB . 19331 1 681 . 1 1 66 66 HIS CD2 C 13 127.013 0.400 . 1 . . . A 66 HIS CD2 . 19331 1 682 . 1 1 66 66 HIS CE1 C 13 139.887 0.400 . 1 . . . A 66 HIS CE1 . 19331 1 683 . 1 1 66 66 HIS N N 15 115.422 0.400 . 1 . . . A 66 HIS N . 19331 1 684 . 1 1 66 66 HIS ND1 N 15 170.425 0.400 . 1 . . . A 66 HIS ND1 . 19331 1 685 . 1 1 66 66 HIS NE2 N 15 211.644 0.400 . 1 . . . A 66 HIS NE2 . 19331 1 686 . 1 1 67 67 SER H H 1 7.859 0.030 . 1 . . . A 67 SER H . 19331 1 687 . 1 1 67 67 SER HA H 1 4.459 0.030 . 1 . . . A 67 SER HA . 19331 1 688 . 1 1 67 67 SER HB2 H 1 3.975 0.030 . 1 . . . A 67 SER HB2 . 19331 1 689 . 1 1 67 67 SER HB3 H 1 3.975 0.030 . 1 . . . A 67 SER HB3 . 19331 1 690 . 1 1 67 67 SER C C 13 175.003 0.400 . 1 . . . A 67 SER C . 19331 1 691 . 1 1 67 67 SER CA C 13 59.246 0.400 . 1 . . . A 67 SER CA . 19331 1 692 . 1 1 67 67 SER CB C 13 63.693 0.400 . 1 . . . A 67 SER CB . 19331 1 693 . 1 1 67 67 SER N N 15 115.047 0.400 . 1 . . . A 67 SER N . 19331 1 694 . 1 1 68 68 GLY H H 1 8.281 0.030 . 1 . . . A 68 GLY H . 19331 1 695 . 1 1 68 68 GLY HA2 H 1 3.993 0.030 . 1 . . . A 68 GLY HA2 . 19331 1 696 . 1 1 68 68 GLY HA3 H 1 3.993 0.030 . 1 . . . A 68 GLY HA3 . 19331 1 697 . 1 1 68 68 GLY C C 13 173.812 0.400 . 1 . . . A 68 GLY C . 19331 1 698 . 1 1 68 68 GLY CA C 13 45.307 0.400 . 1 . . . A 68 GLY CA . 19331 1 699 . 1 1 68 68 GLY N N 15 110.437 0.400 . 1 . . . A 68 GLY N . 19331 1 700 . 1 1 69 69 GLU H H 1 8.069 0.030 . 1 . . . A 69 GLU H . 19331 1 701 . 1 1 69 69 GLU HA H 1 4.280 0.030 . 1 . . . A 69 GLU HA . 19331 1 702 . 1 1 69 69 GLU HB2 H 1 1.956 0.030 . 2 . . . A 69 GLU HB2 . 19331 1 703 . 1 1 69 69 GLU HB3 H 1 2.030 0.030 . 2 . . . A 69 GLU HB3 . 19331 1 704 . 1 1 69 69 GLU HG2 H 1 2.272 0.030 . 1 . . . A 69 GLU HG2 . 19331 1 705 . 1 1 69 69 GLU HG3 H 1 2.272 0.030 . 1 . . . A 69 GLU HG3 . 19331 1 706 . 1 1 69 69 GLU C C 13 176.124 0.400 . 1 . . . A 69 GLU C . 19331 1 707 . 1 1 69 69 GLU CA C 13 56.393 0.400 . 1 . . . A 69 GLU CA . 19331 1 708 . 1 1 69 69 GLU CB C 13 30.396 0.400 . 1 . . . A 69 GLU CB . 19331 1 709 . 1 1 69 69 GLU CG C 13 36.098 0.400 . 1 . . . A 69 GLU CG . 19331 1 710 . 1 1 69 69 GLU N N 15 120.321 0.400 . 1 . . . A 69 GLU N . 19331 1 711 . 1 1 70 70 LYS H H 1 8.349 0.030 . 1 . . . A 70 LYS H . 19331 1 712 . 1 1 70 70 LYS HA H 1 4.594 0.030 . 1 . . . A 70 LYS HA . 19331 1 713 . 1 1 70 70 LYS HB2 H 1 1.781 0.030 . 2 . . . A 70 LYS HB2 . 19331 1 714 . 1 1 70 70 LYS HB3 H 1 1.710 0.030 . 2 . . . A 70 LYS HB3 . 19331 1 715 . 1 1 70 70 LYS HG2 H 1 1.444 0.030 . 1 . . . A 70 LYS HG2 . 19331 1 716 . 1 1 70 70 LYS HG3 H 1 1.444 0.030 . 1 . . . A 70 LYS HG3 . 19331 1 717 . 1 1 70 70 LYS HD2 H 1 1.668 0.030 . 1 . . . A 70 LYS HD2 . 19331 1 718 . 1 1 70 70 LYS HD3 H 1 1.668 0.030 . 1 . . . A 70 LYS HD3 . 19331 1 719 . 1 1 70 70 LYS HE2 H 1 2.977 0.030 . 1 . . . A 70 LYS HE2 . 19331 1 720 . 1 1 70 70 LYS HE3 H 1 2.977 0.030 . 1 . . . A 70 LYS HE3 . 19331 1 721 . 1 1 70 70 LYS CA C 13 54.065 0.400 . 1 . . . A 70 LYS CA . 19331 1 722 . 1 1 70 70 LYS CB C 13 32.557 0.400 . 1 . . . A 70 LYS CB . 19331 1 723 . 1 1 70 70 LYS CG C 13 24.358 0.400 . 1 . . . A 70 LYS CG . 19331 1 724 . 1 1 70 70 LYS CD C 13 28.836 0.400 . 1 . . . A 70 LYS CD . 19331 1 725 . 1 1 70 70 LYS CE C 13 42.043 0.400 . 1 . . . A 70 LYS CE . 19331 1 726 . 1 1 70 70 LYS N N 15 123.278 0.400 . 1 . . . A 70 LYS N . 19331 1 727 . 1 1 71 71 PRO HA H 1 4.391 0.030 . 1 . . . A 71 PRO HA . 19331 1 728 . 1 1 71 71 PRO HB2 H 1 2.218 0.030 . 2 . . . A 71 PRO HB2 . 19331 1 729 . 1 1 71 71 PRO HB3 H 1 1.818 0.030 . 2 . . . A 71 PRO HB3 . 19331 1 730 . 1 1 71 71 PRO HG2 H 1 1.966 0.030 . 1 . . . A 71 PRO HG2 . 19331 1 731 . 1 1 71 71 PRO HG3 H 1 1.966 0.030 . 1 . . . A 71 PRO HG3 . 19331 1 732 . 1 1 71 71 PRO HD2 H 1 3.770 0.030 . 2 . . . A 71 PRO HD2 . 19331 1 733 . 1 1 71 71 PRO HD3 H 1 3.612 0.030 . 2 . . . A 71 PRO HD3 . 19331 1 734 . 1 1 71 71 PRO C C 13 176.178 0.400 . 1 . . . A 71 PRO C . 19331 1 735 . 1 1 71 71 PRO CA C 13 63.143 0.400 . 1 . . . A 71 PRO CA . 19331 1 736 . 1 1 71 71 PRO CB C 13 31.837 0.400 . 1 . . . A 71 PRO CB . 19331 1 737 . 1 1 71 71 PRO CG C 13 27.087 0.400 . 1 . . . A 71 PRO CG . 19331 1 738 . 1 1 71 71 PRO CD C 13 50.381 0.400 . 1 . . . A 71 PRO CD . 19331 1 739 . 1 1 72 72 PHE H H 1 8.177 0.030 . 1 . . . A 72 PHE H . 19331 1 740 . 1 1 72 72 PHE HA H 1 4.606 0.030 . 1 . . . A 72 PHE HA . 19331 1 741 . 1 1 72 72 PHE HB2 H 1 3.089 0.030 . 2 . . . A 72 PHE HB2 . 19331 1 742 . 1 1 72 72 PHE HB3 H 1 3.120 0.030 . 2 . . . A 72 PHE HB3 . 19331 1 743 . 1 1 72 72 PHE HD1 H 1 7.271 0.030 . 1 . . . A 72 PHE HD1 . 19331 1 744 . 1 1 72 72 PHE HD2 H 1 7.271 0.030 . 1 . . . A 72 PHE HD2 . 19331 1 745 . 1 1 72 72 PHE C C 13 174.546 0.400 . 1 . . . A 72 PHE C . 19331 1 746 . 1 1 72 72 PHE CA C 13 57.543 0.400 . 1 . . . A 72 PHE CA . 19331 1 747 . 1 1 72 72 PHE CB C 13 39.501 0.400 . 1 . . . A 72 PHE CB . 19331 1 748 . 1 1 72 72 PHE CD1 C 13 131.673 0.400 . 1 . . . A 72 PHE CD1 . 19331 1 749 . 1 1 72 72 PHE CD2 C 13 131.673 0.400 . 1 . . . A 72 PHE CD2 . 19331 1 750 . 1 1 72 72 PHE N N 15 120.324 0.400 . 1 . . . A 72 PHE N . 19331 1 751 . 1 1 73 73 LYS H H 1 7.707 0.030 . 1 . . . A 73 LYS H . 19331 1 752 . 1 1 73 73 LYS HA H 1 4.096 0.030 . 1 . . . A 73 LYS HA . 19331 1 753 . 1 1 73 73 LYS HB2 H 1 1.761 0.030 . 2 . . . A 73 LYS HB2 . 19331 1 754 . 1 1 73 73 LYS HB3 H 1 1.682 0.030 . 2 . . . A 73 LYS HB3 . 19331 1 755 . 1 1 73 73 LYS HG2 H 1 1.316 0.030 . 1 . . . A 73 LYS HG2 . 19331 1 756 . 1 1 73 73 LYS HG3 H 1 1.316 0.030 . 1 . . . A 73 LYS HG3 . 19331 1 757 . 1 1 73 73 LYS HD2 H 1 1.676 0.030 . 1 . . . A 73 LYS HD2 . 19331 1 758 . 1 1 73 73 LYS HD3 H 1 1.676 0.030 . 1 . . . A 73 LYS HD3 . 19331 1 759 . 1 1 73 73 LYS HE2 H 1 2.965 0.030 . 1 . . . A 73 LYS HE2 . 19331 1 760 . 1 1 73 73 LYS HE3 H 1 2.965 0.030 . 1 . . . A 73 LYS HE3 . 19331 1 761 . 1 1 73 73 LYS CA C 13 57.632 0.400 . 1 . . . A 73 LYS CA . 19331 1 762 . 1 1 73 73 LYS CB C 13 33.920 0.400 . 1 . . . A 73 LYS CB . 19331 1 763 . 1 1 73 73 LYS CG C 13 24.312 0.400 . 1 . . . A 73 LYS CG . 19331 1 764 . 1 1 73 73 LYS CD C 13 28.833 0.400 . 1 . . . A 73 LYS CD . 19331 1 765 . 1 1 73 73 LYS CE C 13 41.958 0.400 . 1 . . . A 73 LYS CE . 19331 1 766 . 1 1 73 73 LYS N N 15 127.080 0.400 . 1 . . . A 73 LYS N . 19331 1 stop_ save_